SCHEMBL11954801

SCHEMBL11954801

Cc1cn(C(C)(C)C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO2 P16083 1/20 0.40
FABP4 P15090 2/20 0.40
HTR6 P50406 1/20 0.39
GPR3 P46089 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
FTO Q9C0B1 1/20 0.37
CYP1A2 P05177 1/20 0.37
SLC6A4 P31645 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL15171903 0.79 SLC6A2 (0.38) SLC6A2KDM4EMEN1KMT2ANQO2
SCHEMBL24186698 0.78 SLC6A2 (0.40) SLC6A2KDM4EMEN1KMT2ANQO2
SCHEMBL14584041 0.78 GPR3 (0.37) KDM4ENQO2GPR3CYP1A2GPR84
SCHEMBL26596971 0.78 GPR3 (0.37) KDM4EMEN1KMT2ANQO2HTR6
SCHEMBL14595047 0.78 GPR3 (0.37) KDM4EMEN1KMT2ANQO2HTR6
SCHEMBL24186697 0.77 KMT2A (0.37) SLC6A2KDM4EMEN1KMT2ANQO2
SCHEMBL13335097 0.76 GPR84 (0.58) HTR6GPR3CYP1A2SLC6A4GPR84
SCHEMBL29712382 0.76 CYP1A2 (0.34) KDM4ECYP1A2MAPTSMN1; SMN2
SCHEMBL29712360 0.76 KDM4E (0.36) KDM4EMEN1KMT2ACYP1A2MAPT
SCHEMBL10234059 0.76 BRD4 (0.43) KDM4ENQO2CYP1A2SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2023-11-02 US disclosed
US-11673882-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-13 US disclosed
US-20230008433-A1 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. 2023-01-12 US disclosed
CN-114835622-A N-tert-butyl protection-3-substituted indole compound and preparation method thereof 常州大学 2022-08-02 CN disclosed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
US-11229708-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2022-01-25 US disclosed
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed
US-10870636-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-20150210700-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-30 US disclosed
US-9000220-B2 Organophosphorus compounds based on tetraphenol (TP)-substituted structures EVONIK DEGUSSA GMBH (DE) 2015-04-07 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20120197025-A1 ORGANOPHOSPHORUS COMPOUNDS BASED ON TETRAPHENOL (TP)-SUBSTITUTED STRUCTURES EVONIK OXENO GMBH (DE) 2012-08-02 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US 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 (10 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-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB3 SLC6A2 3472/4885KDM4E 4477/4885MEN1 4385/4885
US-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP SLC6A2 3840/4885KDM4E 358/4885MEN1 1542/4885
US-11673882-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 SLC6A2 3037/4885KDM4E 4498/4885MEN1 4300/4885
US-20230008433-A1 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP SLC6A2 2958/4885KDM4E 3087/4885MEN1 4363/4885
US-10870636-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 SLC6A2 3037/4885KDM4E 4498/4885MEN1 4300/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 SLC6A2 660/4885KDM4E 4734/4885MEN1 1706/4885
US-11229708-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 SLC6A2 765/4885KDM4E 2538/4885MEN1 126/4885
US-20120197025-A1 ORGANOPHOSPHORUS COMPOUNDS BASED ON TETRAPHENOL (TP)-SUBSTITUTED STRUCTURES PTMS, HPD, INPPL1 SLC6A2 1424/4885KDM4E 2374/4885MEN1 1363/4885
US-20150210700-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 UBA6, UBE2V1, UBA1 SLC6A2 1803/4885KDM4E 913/4885MEN1 2856/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP SLC6A2 3840/4885KDM4E 358/4885MEN1 1542/4885

“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.