SCHEMBL9983118

SCHEMBL9983118

NC(=O)c1ncc(-c2ccccc2F)c2c1[nH]c1cc(N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.46
JAK2 O60674 2/20 0.44
AURKA O14965 1/20 0.44
LCK P06239 1/20 0.44
LYN P07948 1/20 0.44
KIT P10721 1/20 0.44
CDK2 P24941 1/20 0.44
TYK2 P29597 1/20 0.44
TEC P42680 1/20 0.44
TXK P42681 1/20 0.44
BMX P51813 1/20 0.44
ITK Q08881 1/20 0.44
GRM2 Q14416 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PARP1 P09874 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
HTR5A P47898 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL12071920 0.91 BTK (0.42) BTKJAK2AURKALCKLYN
SCHEMBL12071967 0.88 BTK (0.43) BTKJAK2AURKALCKLYN
SCHEMBL12071461 0.85 GABRG2 (0.43) BTKJAK2AURKALCKLYN
SCHEMBL12071962 0.83 JAK2 (0.49) BTKJAK2
SCHEMBL12071981 0.83 CHEK1 (0.49) BTKJAK2AURKALCKLYN
SCHEMBL9983389 0.82 BTK (0.49) BTKJAK2AURKALCKLYN
SCHEMBL9983292 0.81 JAK2 (0.50) BTKJAK2AURKALCKLYN
SCHEMBL124441 0.81 BTK (0.67) BTKJAK2AURKALCKLYN
SCHEMBL9984981 0.80 BTK (0.51) BTKJAK2AURKALCKLYN
SCHEMBL9983852 0.79 JAK2 (0.59) BTKJAK2AURKALCKLYN

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
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
EP-2582668-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-04-24 EP disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 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-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, PRKACA, CILK1 BTK 1/4885JAK2 10/4885AURKA 322/4885

“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.