SCHEMBL106882

SCHEMBL106882

Clc1ccnc2cc(-c3ccc(C4OCCCO4)cn3)sc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
SRC P12931 3/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
RAF1 P04049 1/20 0.30
ABL2 P42684 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL106586 0.95 KDM1A (0.36) KDM1ASRCCCNB2CDK1CCNB1
SCHEMBL10172437 0.81 CCNB2 (0.35) KDM1ACCNB2CDK1CCNB1GSK3B
SCHEMBL2533961 0.81 MCHR1 (0.32) SRCCCNB2CDK1CCNB1GSK3B
SCHEMBL17993515 0.79 CCNB2 (0.33) KDM1ACCNB2CDK1CCNB1GSK3B
SCHEMBL21383117 0.78 MST1R (0.37) KDM1A
SCHEMBL171849 0.77 ADRA2B (0.32)
SCHEMBL21385824 0.77 MST1R (0.39) KDM1AABL1
SCHEMBL17993507 0.77 ADRA2B (0.32)
SCHEMBL28574670 0.75 SRC (0.32) SRC
SCHEMBL1478907 0.75 MCHR1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2011-04-28 US disclosed
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2011-04-28 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
WO-2009109035-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2009-09-11 WO disclosed
WO-2009026720-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS METHYLGENE INC. (CA) 2009-03-05 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 (4 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-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY PTK2B, PRKACA, DSTYK KDM1A 1502/4885SRC 40/4885CCNB2 1702/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 KDM1A 1061/4885SRC 436/4885CCNB2 1407/4885
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY ABL1, ERBB2, TYRO3 KDM1A 1609/4885SRC 14/4885CCNB2 1840/4885
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity ABL1, ERBB2, TYRO3 KDM1A 1609/4885SRC 14/4885CCNB2 1840/4885

“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.