SCHEMBL913675

SCHEMBL913675

COCC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NC(C)c3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55
SYK P43405 12/20 0.54
EGFR P00533 4/20 0.54
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
ITK Q08881 1/20 0.51
JAK3 P52333 1/20 0.48
MAP4K3 Q8IVH8 1/20 0.47
MAP4K1 Q92918 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
CSNK1A1 P48729 1/20 0.47

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
SCHEMBL913932 1.00 CCNT1 (0.55) CCNT1CCNE1CDK2CDK9SYK
SCHEMBL913674 1.00 CCNT1 (0.55) CCNT1CCNE1CDK2CDK9SYK
SCHEMBL913477 0.90 CCNT1 (0.59) CCNT1CCNE1CDK2CDK9SYK
SCHEMBL913873 0.88 CCNT1 (0.57) CCNT1CCNE1CDK2CDK9SYK
SCHEMBL913874 0.88 CCNT1 (0.57) CCNT1CCNE1CDK2CDK9SYK
SCHEMBL913778 0.88 SYK (0.53) CCNT1CCNE1CDK2CDK9SYK
SCHEMBL913777 0.88 SYK (0.53) CCNT1CCNE1CDK2CDK9SYK
SCHEMBL914009 0.87 SYK (0.61) SYKEGFRMAPK8MAPK9ITK
SCHEMBL914008 0.87 SYK (0.61) SYKEGFRMAPK8MAPK9ITK
SCHEMBL914191 0.87 SYK (0.61) SYKEGFRMAPK8MAPK9ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US claimed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO claimed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 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 (2 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 CCNT1 901/4885CCNE1 1493/4885CDK2 138/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 CCNT1 901/4885CCNE1 1493/4885CDK2 138/4885

“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.