SCHEMBL4821347

SCHEMBL4821347

Cc1nccc2c1[nH]c1cc(Br)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.68
▸ CDK1 P06493 2/20 0.68
▸ CCNB1 P14635 2/20 0.68
▸ CCNA2 P20248 2/20 0.68
▸ CDK2 P24941 2/20 0.68
▸ CCNA1 P78396 2/20 0.68
▸ CDK5 Q00535 2/20 0.68
▸ CDK5R1 Q15078 2/20 0.68
▸ CCNB3 Q8WWL7 2/20 0.68
▸ MAOA P21397 16/20 0.64
▸ DYRK1A Q13627 6/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ CYP2D6 P10635 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ DYRK3 O43781 1/20 0.64
▸ CCNT1 O60563 1/20 0.64

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
SCHEMBL2720910 0.87 MAOA (0.61) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL15236149 0.83 CCNB2 (0.71) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL177685 0.81 CCNB2 (0.68) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL16126068 0.81 CCNB2 (0.68) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL30939928 0.81 CCNB2 (0.68) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL23150422 0.81 CCNB2 (0.68) CCNB2CDK1CCNB1CCNA2CDK2
Hydrochloric Acid SCHEMBL647417 0.79 CCNB2 (0.66) CCNB2CDK1CCNB1CCNA2CDK2
Hydrochloric Acid SCHEMBL3769079 0.78 CCNB2 (0.64) CCNB2CDK1CCNB1CCNA2CDK2
Harmine SCHEMBL9481427 0.78 MAOA (1.00) CCNB2CDK1CCNB1CCNA2CDK2
Hydrochloric Acid SCHEMBL970432 0.78 CCNB2 (0.64) CCNB2CDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 — — US disclosed
US-20060166978-A1 Substituted beta carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH 2006-07-27 — — US disclosed
US-7026331-B2 Substituted beta-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-04-11 — — US disclosed
US-20040110759-A1 Substituted beta carbolines AVENTIS PHARMA DEUTSCHLAND GMBH 2004-06-10 — — US disclosed
US-6627637-B2 I kappa B kinase inhibitors for treating various disorders including arthritis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-30 — — US disclosed
US-20020099068-A1 Substituted beta carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-07-25 — — US 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 (3 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-20040110759-A1 Substituted beta carbolines CSNK1A1, CSNK2A1, CSNK2B CCNB2 362/4885CDK1 86/4885CCNB1 275/4885
US-20020099068-A1 Substituted beta carbolines CSNK1A1, CSNK2A1, CSNK2B CCNB2 362/4885CDK1 86/4885CCNB1 275/4885
US-20060166978-A1 Substituted beta carbolines NFKBIA, RELA, IKBKG CCNB2 865/4885CDK1 365/4885CCNB1 716/4885

“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.

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