SCHEMBL1298593

SCHEMBL1298593

CCOC(=O)c1nc(Nc2cc(C)[nH]n2)n2cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
JAK2 O60674 4/20 0.39
GAA P10253 1/20 0.39
AURKA O14965 3/20 0.38
AURKB Q96GD4 3/20 0.38
NTRK1 P04629 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL1299269 0.86 AURKA (0.43) JAK2AURKAAURKBCCNA2CDK2
SCHEMBL1298569 0.85 MAPK1 (0.46) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL1298654 0.82 JAK2 (0.38) JAK2AURKAAURKBCCNA2CDK2
SCHEMBL1299264 0.81 AURKA (0.40) JAK2AURKAAURKBNTRK1RET
SCHEMBL1298726 0.80 AURKA (0.50) CYP1A2CYP2C9CYP2C19JAK2AURKA
SCHEMBL1298725 0.80 AURKA (0.52) JAK2AURKAAURKBCCNA2CDK2
SCHEMBL1298983 0.79 AURKA (0.40) SMN1; SMN2JAK2GAAAURKAAURKB
SCHEMBL1299260 0.78 AURKA (0.48) JAK2AURKAAURKBCCNA2CDK2
SCHEMBL1268774 0.77 PAK4 (0.48) JAK2AURKAAURKBHTTHSD17B10
SCHEMBL3265611 0.77 JAK2 (0.39) CYP1A2CYP2C9CYP2C19JAK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 MAPK1 327/4885SMN1; SMN2 4351/4885CYP1A2 3032/4885

“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.