SCHEMBL915052

SCHEMBL915052

COCC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCC(F)(F)F)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.59
CCNE1 P24864 1/20 0.59
CDK2 P24941 1/20 0.59
CDK9 P50750 1/20 0.59
EGFR P00533 3/20 0.53
ITK Q08881 2/20 0.53
SYK P43405 13/20 0.53
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
ZAP70 P43403 2/20 0.49
CAMK1D Q8IU85 1/20 0.49
PRKCE Q02156 1/20 0.48
BTK Q06187 1/20 0.48
JAK3 P52333 2/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48

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
SCHEMBL914104 0.90 EGFR (0.55) EGFRITKSYKMAPK8MAPK9
SCHEMBL914076 0.88 SYK (0.59) EGFRITKSYKMAPK8ZAP70
SCHEMBL914764 0.86 STAT6 (0.60) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL914772 0.86 CCNT1 (0.67) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913378 0.85 CCNT1 (0.57) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913774 0.85 JAK3 (0.59) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913477 0.84 CCNT1 (0.59) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913938 0.84 JAK3 (0.59) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL3720754 0.84 JAK3 (0.59) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913785 0.84 JAK3 (0.62) CCNT1CCNE1CDK2CDK9EGFR

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-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-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
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-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 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-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 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
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 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
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.