SCHEMBL10242603

SCHEMBL10242603

CCc1ccc2c(c1)NCC=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.41
PARP1 P09874 1/20 0.37
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KIF11 P52732 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NISCH Q9Y2I1 2/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8738571 0.86 ALDH1A1 (0.35) TNKS2PARP1TRPA1CYP1A2CYP2A6
SCHEMBL24073918 0.82 TNKS2 (0.41) TNKS2
SCHEMBL15161193 0.76 GAA (0.38) TNKS2PARP1CYP1A2CYP2A6ALDH1A1
SCHEMBL24021252 0.73 ALDH1A1 (0.44) PARP1ALDH1A1KDM4EGAAHPGD
SCHEMBL30688503 0.72 TNKS2 (0.36) TNKS2PARP1
SCHEMBL7111337 0.72 TNKS2 (0.36) TNKS2ALDH1A1KDM4EGAAMAPT
SCHEMBL1176363 0.72 DRD2 (0.37) TNKS2
SCHEMBL29720392 0.72 DRD2 (0.37) TNKS2
SCHEMBL22278266 0.71 TNKS2 (0.34) TNKS2TRPA1ALDH1A1GAAHPGD
SCHEMBL762345 0.71 ALDH1A1 (0.34) TNKS2CYP1A2ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 TNKS2 315/4885PARP1 1194/4885TRPA1 4057/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 TNKS2 484/4885PARP1 1789/4885TRPA1 3253/4885

“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.