SCHEMBL12072022

SCHEMBL12072022

CN(C)c1ccc(C(=O)Nc2cccc(-c3cnc(C(N)=O)c4[nH]c5cc(N6CCOCC6)ccc5c34)c2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.58
JAK2 O60674 5/20 0.58
TYK2 P29597 2/20 0.58
AURKA O14965 1/20 0.58
LCK P06239 1/20 0.58
LYN P07948 1/20 0.58
KIT P10721 1/20 0.58
TEC P42680 1/20 0.58
TXK P42681 1/20 0.58
BMX P51813 1/20 0.58
ITK Q08881 1/20 0.58
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL9984045 0.94 BTK (0.53) BTKJAK2TYK2AURKALCK
SCHEMBL12071986 0.92 BTK (0.50) BTKJAK2TYK2AURKALCK
SCHEMBL12071978 0.92 BTK (0.55) BTKJAK2TYK2AURKALCK
SCHEMBL12071965 0.91 BTK (0.68) BTKJAK2TYK2AURKALCK
SCHEMBL9983617 0.90 BTK (0.50) BTKJAK2TYK2AURKALCK
SCHEMBL12071523 0.87 BTK (0.56) BTKJAK2TYK2AURKALCK
SCHEMBL12071983 0.86 BTK (0.47) BTKJAK2TYK2AURKALCK
SCHEMBL12071960 0.86 BTK (0.51) BTKJAK2TYK2AURKALCK
SCHEMBL12071521 0.85 BTK (0.49) BTKJAK2TYK2LCKLYN
SCHEMBL12071520 0.84 BTK (0.48) BTKJAK2TYK2LCKLYN

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
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
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 BTK 1/4885JAK2 10/4885TYK2 8/4885

“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.