SCHEMBL9984153

SCHEMBL9984153

Cc1c(-c2cnc(C(N)=O)c3[nH]c4cc(OCCN5CCOCC5)ccc4c23)cccc1N1Cc2ccc(Cl)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.45
JAK2 O60674 1/20 0.43
MAOA P21397 1/20 0.42
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CHUK O15111 3/20 0.39
INSR P06213 3/20 0.39
MAPK8 P45983 3/20 0.39
CAMKK2 Q96RR4 3/20 0.39
MAP3K14 Q99558 1/20 0.37
HTR2C P28335 1/20 0.37
AURKA O14965 1/20 0.37
KDR P35968 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
SCHEMBL12071970 0.91 BTK (0.48) BTKJAK2MAOA
SCHEMBL9983661 0.89 BTK (0.47) BTKJAK2
SCHEMBL9984004 0.89 BTK (0.47) BTKJAK2
SCHEMBL12072012 0.87 BTK (0.48) BTKJAK2
SCHEMBL9983495 0.87 BTK (0.50) BTKJAK2
SCHEMBL12070558 0.85 BTK (0.45) BTKJAK2
SCHEMBL9983684 0.84 BTK (0.52) BTKJAK2
SCHEMBL9983506 0.84 BTK (0.52) BTKJAK2
SCHEMBL12070652 0.83 BTK (0.51) BTKJAK2MAOA
SCHEMBL12070555 0.83 BTK (0.48) BTKJAK2

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 10/4885MAOA 2275/4885

“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.