SCHEMBL913616

SCHEMBL913616

CN(c1cccnc1)c1cc(Nc2cccc(NC(=O)N3CCOCC3)c2)ncc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPK10 P53779 3/20 0.41
MAPK9 P45984 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.40
PDE4B Q07343 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL913863 0.86 BUB1 (0.40) DYRK1AGSK3B
SCHEMBL913066 0.85 ATR (0.43) AURKAGAAHPGDDYRK1A
SCHEMBL913617 0.82 JAK3 (0.54) AURKARPS6KB1SMN1; SMN2GAAMEN1
SCHEMBL914111 0.81 ABL1 (0.41) MAPK10MAPK9MAPT
SCHEMBL914824 0.81 ABL1 (0.39) MAPK10MAPK9SMN1; SMN2
SCHEMBL3715478 0.79 AURKA (0.44) RAB9ANPC1ROCK2ROCK1AURKA
SCHEMBL914353 0.74 JAK3 (0.56) AURKARPS6KB1SMN1; SMN2
SCHEMBL914786 0.74 AURKA (0.55) AURKARPS6KB1
SCHEMBL913865 0.73 JAK3 (0.49) SMN1; SMN2
SCHEMBL913864 0.73 JAK3 (0.49) SMN1; SMN2

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 RAB9A 2232/4885NPC1 3248/4885ROCK2 318/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 RAB9A 2232/4885NPC1 3248/4885ROCK2 318/4885

“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.