SCHEMBL14977622

SCHEMBL14977622

NC(=O)c1cnc(On2nnc3ccccc32)nc1Nc1cnc2ccccc2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.83
AURKB Q96GD4 1/20 0.41
LCK P06239 1/20 0.39
BTK Q06187 1/20 0.39
TNF P01375 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL2627261 0.91 SYK (1.00) SYKAURKBMAPK8MAPK9NPC1
SCHEMBL2627316 0.91 SYK (0.83) SYKAURKBMAPK8MAPK9
SCHEMBL2627345 0.88 SYK (0.76) SYKAURKBZAP70
SCHEMBL2627264 0.86 SYK (1.00) SYKAURKBMAPK8MAPK9NPC1
SCHEMBL4711595 0.86 SYK (0.76) SYKAURKBLCKMAPK8MAPK9
SCHEMBL1354608 0.85 SYK (0.75) SYKAURKBZAP70
SCHEMBL12134422 0.83 SYK (0.69) SYKAURKBMAPK8MAPK9ALDH1A1
SCHEMBL14977614 0.83 SYK (0.74) SYKAURKBMAPK8MAPK9
SCHEMBL2627155 0.82 SYK (0.68) SYKAURKB
SCHEMBL2387566 0.82 SYK (0.69) SYKAURKBMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
EP-2782580-A1 SELECTIVE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 WO disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 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 (1 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-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK SYK 1/4885AURKB 110/4885LCK 3/4885

“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.