SCHEMBL3599649

SCHEMBL3599649

Brc1ccc(-c2cc3ccc4cnccc4c3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ GCGR P47871 4/20 0.44
▸ MAPK14 Q16539 4/20 0.44
▸ CDC7 O00311 2/20 0.43
▸ CHUK O15111 1/20 0.41
▸ IMPDH2 P12268 2/20 0.41
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ KIT P10721 1/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ HASPIN Q8TF76 1/20 0.36

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
SCHEMBL3606588 0.88 CLK1 (0.44) CDK1GSK3AGSK3BGCGRMAPK14
SCHEMBL3603159 0.85 CDK4 (0.48) CDK1GSK3AGSK3BCCNB2CCNB1
SCHEMBL15568338 0.79 CCNB2 (0.44) CDK1GSK3AGSK3BCCNB2CCNB1
SCHEMBL21565912 0.78 CYP19A1 (0.50) CDK1GSK3AGSK3BCCNB2CCNB1
SCHEMBL3591016 0.77 MAPK10 (0.50) IMPDH2FGFR1KDRRPS6KA3
SCHEMBL3599017 0.76 RPS6KA3 (0.44) IMPDH2AURKAJAK2CHEK2FGFR1
SCHEMBL15568360 0.73 CCNB2 (0.44) CDK1GSK3AGSK3BCCNB2CCNB1
SCHEMBL3600494 0.73 CDC7 (0.40) CDK1GSK3AGSK3BGCGRMAPK14
SCHEMBL3598022 0.73 ERN1 (0.45) CDK1GSK3AGSK3BGCGRMAPK14
SCHEMBL3594823 0.72 CDC7 (0.45) CDK1GSK3AGSK3BGCGRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 — — EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 — — US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 — — US disclosed
EP-2118102-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES Nerviano Medical Sciences S.r.l. (IT) 2009-11-18 — — EP disclosed
WO-2008065054-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-05 — — 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 CDK1 4/4885GSK3A 135/4885GSK3B 128/4885

“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.

Send feedback