SCHEMBL9983292

SCHEMBL9983292

NC(=O)c1ncc(-c2ccccc2F)c2c1[nH]c1cc(N3CCOCC3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.50
TYK2 P29597 4/20 0.50
JAK1 P23458 3/20 0.50
JAK3 P52333 3/20 0.50
BTK Q06187 2/20 0.45
AURKA O14965 1/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
KIT P10721 1/20 0.45
CDK2 P24941 1/20 0.45
TEC P42680 1/20 0.45
TXK P42681 1/20 0.45
BMX P51813 1/20 0.45
ITK Q08881 1/20 0.45
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LRRK2 Q5S007 1/20 0.42
RIPK2 O43353 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL9983438 0.92 JAK2 (0.46) JAK2TYK2JAK1JAK3BTK
SCHEMBL9983852 0.87 JAK2 (0.59) JAK2TYK2JAK1JAK3BTK
SCHEMBL9983706 0.86 DGAT1 (0.45) JAK2TYK2JAK1JAK3
SCHEMBL9983825 0.85 JAK2 (0.49) JAK2TYK2JAK1JAK3BTK
SCHEMBL27982591 0.84 BTK (0.62) JAK2TYK2JAK1JAK3BTK
SCHEMBL9983586 0.82 LRRK2 (0.43) JAK2TYK2JAK1JAK3BTK
SCHEMBL12071978 0.82 BTK (0.55) JAK2TYK2JAK1JAK3BTK
SCHEMBL9983118 0.81 BTK (0.46) JAK2TYK2BTKAURKALCK
SCHEMBL12070665 0.81 BTK (0.59) JAK2TYK2JAK1JAK3BTK
SCHEMBL12071528 0.81 BTK (0.59) JAK2TYK2JAK1JAK3BTK

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 JAK2 10/4885TYK2 8/4885JAK1 9/4885

“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.