SCHEMBL12071981

SCHEMBL12071981

NC(=O)c1ncc(-c2ccccc2F)c2c1[nH]c1ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.49
WEE1 P30291 7/20 0.49
BTK Q06187 3/20 0.44
ROCK2 O75116 2/20 0.40
JAK2 O60674 4/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
BRAF P15056 2/20 0.39
KIT P10721 2/20 0.38
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
LYN P07948 1/20 0.38
CDK2 P24941 1/20 0.38
TYK2 P29597 1/20 0.38
TEC P42680 1/20 0.38
TXK P42681 1/20 0.38
BMX P51813 1/20 0.38
ITK Q08881 1/20 0.38

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
SCHEMBL12071962 0.90 JAK2 (0.49) BTKJAK2BRAF
SCHEMBL12071967 0.88 BTK (0.43) BTKJAK2KITAURKALCK
SCHEMBL12071963 0.85 BTK (0.44) BTKROCK2JAK2GSK3AGSK3B
SCHEMBL9983118 0.83 BTK (0.46) BTKJAK2CDK5CDK5R1KIT
SCHEMBL9983389 0.76 BTK (0.49) BTKJAK2BRAFKITAURKA
SCHEMBL9983292 0.76 JAK2 (0.50) BTKJAK2KITAURKALCK
SCHEMBL9984550 0.76 BTK (0.36) BTKJAK2KITAURKALCK
SCHEMBL12071922 0.74 BTK (0.49) BTKROCK2JAK2
SCHEMBL9984981 0.74 BTK (0.51) BTKJAK2GSK3AGSK3BKIT
SCHEMBL12071920 0.74 BTK (0.42) BTKROCK2JAK2CDK5CDK5R1

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 3 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
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

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 CHEK1 147/4885WEE1 394/4885BTK 1/4885

“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.