SCHEMBL9983448

SCHEMBL9983448

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.53
BTK Q06187 9/20 0.53
TYK2 P29597 3/20 0.53
AURKA O14965 1/20 0.53
LCK P06239 1/20 0.53
LYN P07948 1/20 0.53
KIT P10721 1/20 0.53
CDK2 P24941 1/20 0.53
TEC P42680 1/20 0.53
TXK P42681 1/20 0.53
BMX P51813 1/20 0.53
ITK Q08881 1/20 0.53
JAK1 P23458 2/20 0.49
JAK3 P52333 2/20 0.49
PDE4B Q07343 2/20 0.46

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
SCHEMBL9983852 0.92 JAK2 (0.59) JAK2BTKTYK2AURKALCK
SCHEMBL9983736 0.88 BTK (0.51) JAK2BTKTYK2AURKALCK
SCHEMBL9983438 0.86 JAK2 (0.46) JAK2BTKTYK2AURKALCK
SCHEMBL123345 0.80 BTK (0.80) JAK2BTKTYK2AURKALCK
SCHEMBL9983292 0.79 JAK2 (0.50) JAK2BTKTYK2AURKALCK
SCHEMBL12071920 0.78 BTK (0.42) JAK2BTKTYK2AURKALCK
SCHEMBL12071437 0.76 LRRK2 (0.41)
SCHEMBL9983706 0.75 DGAT1 (0.45) JAK2TYK2JAK1JAK3
SCHEMBL12071965 0.74 BTK (0.68) JAK2BTKTYK2AURKALCK
SCHEMBL28478995 0.74 PDE4B (0.56) PDE4B

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 10/4885BTK 1/4885TYK2 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.