SCHEMBL8485243

SCHEMBL8485243

CNCc1ccnc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.46
PRMT6 Q96LA8 4/20 0.44
EPHX2 P34913 1/20 0.42
KCNQ2 O43526 1/20 0.41
ADRB2 P07550 1/20 0.41
CYP3A4 P08684 2/20 0.40
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CHRM4 P08173 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
PDE2A O00408 2/20 0.39
WNT3A P56704 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP1A2 P05177 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL14041763 0.82 UHRF1 (0.45) UHRF1KCNQ2CYP3A4GRM5CHRM4
SCHEMBL12213655 0.81 PRMT6 (0.46) PRMT6EPHX2ADRB2CYP3A4KDM4E
SCHEMBL12582069 0.80 MAPT (0.47) UHRF1KCNQ2KDM4EMAPTCYP1A2
SCHEMBL17284452 0.80 UHRF1 (0.43) UHRF1KCNQ2GRM5CHRM4FLT1
SCHEMBL14867653 0.80 UHRF1 (0.43) UHRF1KCNQ2ADRB2GRM5CHRM4
SCHEMBL19497003 0.80 WNT3A (0.59) PRMT6ADRB2WNT3A
SCHEMBL13302791 0.79 UHRF1 (0.42) UHRF1KCNQ2GRM5CHRM4KDR
SCHEMBL4355540 0.78 UHRF1 (0.54) UHRF1KCNQ2GRM5FLT1KDR
SCHEMBL23891936 0.78 CYP1A2 (0.44) PRMT6EPHX2ADRB2CYP3A4KDM4E
SCHEMBL10061634 0.78 NOS1 (0.62) PRMT6EPHX2ADRB2CYP3A4KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP disclosed
US-5545744-A Cyano naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-08-13 US disclosed
US-5498727-A Preparation of benzindole compounds from naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-03-12 US disclosed
WO-1996002502-A1 PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-01 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 (3 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-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 UHRF1 641/4885PRMT6 2653/4885EPHX2 2829/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 UHRF1 2115/4885PRMT6 669/4885EPHX2 2075/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B UHRF1 4358/4885PRMT6 456/4885EPHX2 1270/4885

“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.