SCHEMBL913833

SCHEMBL913833

CC(Nc1nc(Cl)ncc1C(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.54
RPS6KB1 P23443 3/20 0.54
AURKB Q96GD4 1/20 0.54
SYK P43405 2/20 0.52
LDHB P07195 9/20 0.50
LDHA P00338 8/20 0.47
PLK1 P53350 1/20 0.47
EGFR P00533 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ASPH Q12797 1/20 0.44
RIOX2 Q8IUF8 1/20 0.44
KDM8 Q8N371 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PPP1CA P62136 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL22261197 0.88 SYK (0.53) AURKARPS6KB1AURKBSYKLDHB
SCHEMBL22261344 0.86 RPS6KB1 (0.51) AURKARPS6KB1AURKBSYKLDHB
SCHEMBL22261333 0.84 SYK (0.55) AURKARPS6KB1SYK
SCHEMBL22261410 0.84 AURKA (0.46) AURKARPS6KB1AURKBSYKLDHB
SCHEMBL22261133 0.83 SYK (0.52) AURKARPS6KB1SYK
SCHEMBL22261260 0.83 AURKA (0.45) AURKARPS6KB1AURKBSYKEGFR
SCHEMBL29922290 0.82 RPS6KB1 (0.56) AURKARPS6KB1AURKBEGFR
SCHEMBL17485379 0.82 MAPK8 (0.54) SYK
SCHEMBL22261309 0.82 SYK (0.45) AURKARPS6KB1AURKBSYK
SCHEMBL30430694 0.82 ALDH1A1 (0.64) SYKLDHBLDHAKDM4EALDH1A1

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 13 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 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

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 AURKA 365/4885RPS6KB1 483/4885AURKB 405/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 AURKA 365/4885RPS6KB1 483/4885AURKB 405/4885

“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.