SCHEMBL9983736

SCHEMBL9983736

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.51
JAK2 O60674 7/20 0.51
TYK2 P29597 3/20 0.51
AURKA O14965 1/20 0.51
LCK P06239 1/20 0.51
LYN P07948 1/20 0.51
KIT P10721 1/20 0.51
CDK2 P24941 1/20 0.51
TEC P42680 1/20 0.51
TXK P42681 1/20 0.51
BMX P51813 1/20 0.51
ITK Q08881 1/20 0.51
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK1 P23458 2/20 0.45
JAK3 P52333 2/20 0.45
PDE4B Q07343 1/20 0.44
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9983706 0.88 DGAT1 (0.45) JAK2TYK2KDM4EALDH1A1GAA
SCHEMBL9983448 0.88 JAK2 (0.53) BTKJAK2TYK2AURKALCK
SCHEMBL9983852 0.87 JAK2 (0.59) BTKJAK2TYK2AURKALCK
SCHEMBL12071461 0.81 GABRG2 (0.43) BTKJAK2TYK2AURKALCK
SCHEMBL123345 0.76 BTK (0.80) BTKJAK2TYK2AURKALCK
SCHEMBL141958 0.75 JAK2 (0.75) JAK2TYK2JAK1JAK3
SCHEMBL9983438 0.75 JAK2 (0.46) BTKJAK2TYK2AURKALCK
SCHEMBL9983292 0.74 JAK2 (0.50) BTKJAK2TYK2AURKALCK
SCHEMBL9983733 0.74 JAK2 (0.43) BTKJAK2ALDH1A1
SCHEMBL9983617 0.74 BTK (0.50) BTKJAK2TYK2AURKALCK

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 10/4885TYK2 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.