SCHEMBL175989

SCHEMBL175989

CCCCCc1nnc(N2CCNCC2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SMO Q99835 1/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ADRA1B P35368 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2947725 0.76 MEN1 (0.74) MEN1KMT2AHTTNPSR1SMO
SCHEMBL27812347 0.76 MEN1 (0.60) MEN1KMT2AHTTNPSR1SMO
SCHEMBL10623392 0.75 ALDH1A1 (0.59) KMT2ANPSR1HPGDKDM4ETSHR
SCHEMBL3646218 0.72 MEN1 (0.75) MEN1KMT2AHTTNPSR1SMO
SCHEMBL29210388 0.71 EPHX2 (0.49) HTR2C
SCHEMBL30983319 0.71 EPHX2 (0.49) HTR2C
SCHEMBL27564193 0.71 HTR2C (0.45) HTR2CHRH4
SCHEMBL10833639 0.71 ADRB1 (0.50) MEN1KMT2AHTTHTR2CHPGD
SCHEMBL20431317 0.71 MEN1 (0.40) MEN1KMT2AHTTNPSR1SMO
SCHEMBL30887031 0.70 EPHX2 (0.48) HTR2CHRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939333-B2 Solid forms of isoquinolinones, and process of making, composition comprising, and methods of using the same INFINITY PHARMACEUTICALS, INC. (US) 2024-03-26 — — US disclosed
US-20240050437-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2024-02-15 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-20230293534-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS SECURA BIO, INC. 2023-09-21 — — US disclosed
EP-4185279-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Secura Bio, Inc. (US) 2023-05-31 — — EP disclosed
US-20230108157-A1 FORMULATIONS OF (S)-3-(1-(9H-PURIN-6-YLAMINO)ETHYL)-8-CHLORO-2-PHENYLISOQUINOLIN-1(2H)-ONE INTELLIKINE LLC 2023-04-06 — — US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 — — US disclosed
US-11479601-B2 Antibodies specific to Sonic Hedgehog and method of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-10-25 — — US disclosed
US-20220135576-A1 SOLID FORMS OF ISOQUINOLINONES, AND PROCESS OF MAKING, COMPOSITION COMPRISING, AND METHODS OF USING THE SAME TWELVE THERAPEUTICS, INC. 2022-05-05 — — US disclosed
US-11312718-B2 Formulations of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one INFINITY PHARMACEUTICALS, INC. (US) 2022-04-26 — — US disclosed
US-20120010229-A1 THERAPEUTIC REGIMENS FOR HEDGEHOG-ASSOCIATED CANCERS INFINITY PHARMACEUTICALS, INC. 2012-01-12 — — US disclosed
WO-2012006589-A2 METHODS AND COMPOSITIONS FOR IDENTIFICATION, ASSESSMENT AND TREATMENT OF CANCERS ASSOCIATED WITH HEDGEHOG SIGNALING INFINITY PHARMACEUTICALS, INC. (US) 2012-01-12 — — WO disclosed
WO-2012006584-A2 THERAPEUTIC REGIMENS FOR HEDGEHOG-ASSOCIATED CANCERS INFINITY PHARMACEUTICALS, INC. (US) 2012-01-12 — — WO disclosed
US-20120010230-A1 METHODS AND COMPOSITIONS FOR IDENTIFICATION, ASSESSMENT AND TREATMENT OF CANCERS ASSOCIATED WITH HEDGEHOG SIGNALING ROYALTY SECURITY, LLC 2012-01-12 — — US disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 — — WO disclosed
US-20110183948-A1 TREATMENT OF FIBROTIC CONDITIONS USING HEDGEHOG INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2011-07-28 — — US disclosed
WO-2011088404-A1 TREATMENT OF FIBROTIC CONDITIONS USING HEDGEHOG INHIBITORS INFINITY PHARMACEUTICALS , INC (US) 2011-07-21 — — WO disclosed
EP-2170866-A1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Amgen Inc. (US) 2010-04-07 — — EP disclosed
US-20090048259-A1 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2009-02-19 — — US disclosed
WO-2009002469-A1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2008-12-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090048259-A1 Phthalazine compounds, compositions and methods of use VHL, HDAC5, SUZ12 MEN1 471/4885KMT2A 670/4885HTT 163/4885
US-11312718-B2 Formulations of (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one PIK3CA, AKT3, PIK3CD MEN1 911/4885KMT2A 4067/4885HTT 1155/4885
US-20240050437-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MEN1 1386/4885KMT2A 3819/4885HTT 823/4885
US-20110183948-A1 TREATMENT OF FIBROTIC CONDITIONS USING HEDGEHOG INHIBITORS SHH, GLI1, SMO MEN1 1812/4885KMT2A 1607/4885HTT 1628/4885
US-20120010230-A1 METHODS AND COMPOSITIONS FOR IDENTIFICATION, ASSESSMENT AND TREATMENT OF CANCERS ASSOCIATED WITH HEDGEHOG SIGNALING SHH, GLI1, SMO MEN1 1027/4885KMT2A 2876/4885HTT 1354/4885
US-20230108157-A1 FORMULATIONS OF (S)-3-(1-(9H-PURIN-6-YLAMINO)ETHYL)-8-CHLORO-2-PHENYLISOQUINOLIN-1(2H)-ONE PIK3CA, PIK3CD, PIK3CG MEN1 1593/4885KMT2A 3564/4885HTT 945/4885
US-20230293534-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PI4KB MEN1 1835/4885KMT2A 1006/4885HTT 3891/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB MEN1 1386/4885KMT2A 3819/4885HTT 823/4885
US-20220135576-A1 SOLID FORMS OF ISOQUINOLINONES, AND PROCESS OF MAKING, COMPOSITION COMPRISING, AND METHODS OF USING THE SAME PIK3CA, PIK3C2A, PIK3CD MEN1 3126/4885KMT2A 2333/4885HTT 865/4885
US-11939333-B2 Solid forms of isoquinolinones, and process of making, composition comprising, and methods of using the same PIK3CA, PIK3C2A, PIK3CD MEN1 3126/4885KMT2A 2333/4885HTT 865/4885
US-20120010229-A1 THERAPEUTIC REGIMENS FOR HEDGEHOG-ASSOCIATED CANCERS GLI1, SHH, SMO MEN1 1576/4885KMT2A 780/4885HTT 2893/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MEN1 1860/4885KMT2A 985/4885HTT 3415/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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