SCHEMBL2520004

SCHEMBL2520004

N#CC1(c2cccc([C]=O)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
OPRM1 P35372 3/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
OPRL1 P41146 2/20 0.35
IL4I1 Q96RQ9 1/20 0.35
BRAF P15056 1/20 0.34
OPRD1 P41143 1/20 0.34
HSD11B1 P28845 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
SCHEMBL2518643 0.93 KMT2A (0.41) KMT2AOPRM1CA12CA1CA2
SCHEMBL2518857 0.92 KMT2A (0.40) KMT2AOPRM1CA12CA1CA2
SCHEMBL2515164 0.89 PIK3CD (0.39) KMT2AOPRM1CA12CA1CA2
SCHEMBL10529080 0.74 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL10526309 0.74 KDM1A (0.46) KMT2AOPRM1
SCHEMBL3206919 0.74 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL923226 0.74 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL13808798 0.74 KMT2A (0.49) KMT2AOPRM1CA12CA1CA2
SCHEMBL2816850 0.74 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL1986488 0.74 KMT2A (0.49) KMT2AOPRM1OPRL1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1144/4885OPRM1 3617/4885CA12 3024/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1144/4885OPRM1 3617/4885CA12 3024/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1144/4885OPRM1 3617/4885CA12 3024/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KMT2A 1189/4885OPRM1 3381/4885CA12 2790/4885

“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.