SCHEMBL9885000

SCHEMBL9885000

Cc1cncc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
NPSR1 Q6W5P4 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL9885016 0.82 PDE10A (0.47) KMT2ACRHBPCRHR2NPSR1HRH4
SCHEMBL12677961 0.81 CRHBP (0.49) KMT2ACRHBPCRHR2NPSR1ALDH1A1
SCHEMBL1713997 0.79 KMT2A (0.40) KMT2ACRHBPCRHR2HRH4ALDH1A1
SCHEMBL2401439 0.79 HTR3A (0.58) NPSR1HRH4ALDH1A1KDM4ECYP1A2
SCHEMBL15582906 0.79 KMT2A (0.42) KMT2ACRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL12186838 0.78 KMT2A (0.41) KMT2ACRHBPCRHR2NPSR1ALDH1A1
SCHEMBL19581824 0.78 KMT2A (0.41) KMT2ACRHBPCRHR2NPSR1ALDH1A1
SCHEMBL3089415 0.78 KMT2A (0.64) KMT2ACRHBPCRHR2ALDH1A1HTT
SCHEMBL5524143 0.78 ALDH1A1 (0.44) KMT2ACRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL245740 0.78 KMT2A (0.49) KMT2ACRHBPCRHR2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2010077686-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP 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 (5 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB KMT2A 2988/4885CRHBP 4683/4885CRHR2 4643/4885
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 2601/4885CRHBP 1097/4885CRHR2 2308/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB KMT2A 2988/4885CRHBP 4683/4885CRHR2 4643/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA KMT2A 2089/4885CRHBP 4584/4885CRHR2 4689/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KMT2A 985/4885CRHBP 4075/4885CRHR2 3856/4885

“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.