SCHEMBL9983617

SCHEMBL9983617

CCOC(=O)c1ncc(-c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2F)c2c1[nH]c1cc(N3CCOCC3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.50
AURKA O14965 1/20 0.50
JAK2 O60674 1/20 0.50
LCK P06239 1/20 0.50
LYN P07948 1/20 0.50
KIT P10721 1/20 0.50
TYK2 P29597 1/20 0.50
TEC P42680 1/20 0.50
TXK P42681 1/20 0.50
BMX P51813 1/20 0.50
ITK Q08881 1/20 0.50
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MTOR P42345 1/20 0.38
HTT P42858 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
SCHEMBL9984045 0.91 BTK (0.53) BTKAURKAJAK2LCKLYN
SCHEMBL12072022 0.90 BTK (0.58) BTKAURKAJAK2LCKLYN
SCHEMBL12071986 0.84 BTK (0.50) BTKAURKAJAK2LCKLYN
SCHEMBL12071978 0.82 BTK (0.55) BTKAURKAJAK2LCKLYN
SCHEMBL12071965 0.82 BTK (0.68) BTKAURKAJAK2LCKLYN
SCHEMBL9983706 0.81 DGAT1 (0.45) JAK2TYK2MAPTRECQLSIRT2
SCHEMBL12071523 0.79 BTK (0.56) BTKAURKAJAK2LCKLYN
SCHEMBL12071983 0.78 BTK (0.47) BTKAURKAJAK2LCKLYN
SCHEMBL9983901 0.78 TP53 (0.40) BTKKITMAPTMAPK14TP53
SCHEMBL12071521 0.77 BTK (0.49) BTKJAK2LCKLYNKIT

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 5 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-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
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 1/4885AURKA 322/4885JAK2 10/4885

“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.