SCHEMBL913696

SCHEMBL913696

NC(=O)c1cnc(Nc2cccc(NC(=O)c3ccncc3)c2)nc1NCc1ccccc1F

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
JAK3 P52333 12/20 0.58
JAK2 O60674 8/20 0.58
JAK1 P23458 8/20 0.58
STAT6 P42226 2/20 0.57
EGFR P00533 1/20 0.50
PTK2 Q05397 1/20 0.49
SYK P43405 2/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
SRC P12931 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 0.49

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
SCHEMBL913750 0.92 JAK3 (0.57) CCNT1CCNE1CDK2CDK9JAK3
SCHEMBL913982 0.89 JAK3 (0.59) JAK3JAK2JAK1STAT6EGFR
SCHEMBL914967 0.88 JAK3 (0.57) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913923 0.87 JAK3 (0.65) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913564 0.86 JAK3 (0.57) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913464 0.85 JAK3 (0.63) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913602 0.84 JAK3 (0.56) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913889 0.84 JAK3 (0.66) JAK3JAK2JAK1STAT6SYK
SCHEMBL913023 0.83 JAK3 (0.57) JAK3JAK2JAK1STAT6EGFR
SCHEMBL913939 0.82 STAT6 (0.62) CDK2JAK3JAK2JAK1STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US 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.