SCHEMBL913561

SCHEMBL913561

CC(=O)Nc1cccc(Nc2cc(N(C)c3ccc4c(c3)OCO4)c(C(N)=O)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.49
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
KMT2A Q03164 2/20 0.46
FYN P06241 2/20 0.43
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
NPC1 O15118 3/20 0.39
SYK P43405 1/20 0.39
PIK3CA P42336 1/20 0.39
PRKDC P78527 1/20 0.39
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL913697 0.84 BRAF (0.46) BRAFKMT2AFYNSYK
SCHEMBL913066 0.81 ATR (0.43) BRAFPOLBGABRG2GABRB3GABRA5
SCHEMBL913563 0.80 JAK3 (0.57) BRAFMAPK9MAPK10KMT2ARAB9A
SCHEMBL2694902 0.79 SYK (0.51) KMT2AMAPTSYK
SCHEMBL914135 0.77 GABRG2 (0.48) BRAFGABRG2GABRB3GABRA5SYK
SCHEMBL2695378 0.77 DYRK3 (0.44) BRAFKMT2AFYNRAB9ASMN1; SMN2
SCHEMBL912990 0.76 PIK3CA (0.49) GABRG2GABRB3GABRA5SYKPIK3CA
SCHEMBL3714460 0.74 JAK3 (0.52) BRAFRAB9APOLBGABRG2GABRB3
SCHEMBL913616 0.72 RAB9A (0.43) MAPK9MAPK10KMT2ARAB9ASMN1; SMN2
SCHEMBL913699 0.71 BRAF (0.55) BRAFSYK

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 7 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-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 BRAF 301/4885MAPK9 137/4885MAPK10 240/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 BRAF 301/4885MAPK9 137/4885MAPK10 240/4885

“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.