SCHEMBL9984239

SCHEMBL9984239

O=c1[nH]ccc2[nH]c3cc(Br)ccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
CHEK1 O14757 10/20 0.47
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
CAMK2A Q9UQM7 2/20 0.44
CCNT1 O60563 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
EIF2AK2 P19525 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL3505223 0.80 ALDH1A1 (0.54) CHEK1CDK4CCND1CAMK2ACCNE2
SCHEMBL31451502 0.76 CDK4 (0.54) CDK4CCND1CAMK2ACCNE2CCNE1
SCHEMBL24487472 0.75 CHEK1 (0.37) CHEK1AHRCSNK1DJAK2RPS6KA3
SCHEMBL798414 0.75 ALDH1A1 (0.52) CHEK1CDK4CCND1CDK5CAMK2A
SCHEMBL30577754 0.75 METAP2 (0.49) METAP2CHEK1CDK4CCND1CDK9
SCHEMBL25254069 0.74 PIM3 (0.51) METAP2CHEK1CDK4CCND1CDK9
SCHEMBL181890 0.73 METAP2 (0.52) METAP2CDK4CCND1CDK9CDK5
SCHEMBL28272924 0.73 METAP2 (0.52) METAP2CDK4CCND1CDK9CDK5
SCHEMBL29397381 0.73 METAP2 (0.52) METAP2CDK4CCND1CDK9CDK5
SCHEMBL9984642 0.72 KIF11 (0.58) CHEK1DYRK1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 WO disclosed
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 METAP2 3987/4885CHEK1 147/4885CDK4 359/4885

“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.