SCHEMBL3603159

SCHEMBL3603159

c1ccc(-c2cc3ccc4cnccc4c3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ NPY5R Q15761 2/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ CDC7 O00311 2/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ HASPIN Q8TF76 1/20 0.41
▸ GCGR P47871 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40

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 0.90 CLK1 (0.44) CDK4CCND1CYP19A1CDC7CDK1
SCHEMBL3599649 0.85 CDK1 (0.44) CDK4CCND1CYP19A1CDC7CCNB2
SCHEMBL4891254 0.80 RAB9A (0.55) NPY5RCYP19A1DHODHNPC1RAB9A
SCHEMBL31020778 0.80 RAB9A (0.55) NPY5RCYP19A1DHODHNPC1RAB9A
SCHEMBL12324064 0.77 NPC1 (0.59) NPY5RCYP19A1DHODHNPC1RAB9A
SCHEMBL8878252 0.77 CYP19A1 (0.63) CYP19A1CDC7NPC1RAB9ACCNB2
SCHEMBL3591016 0.76 MAPK10 (0.50) NPY5R
SCHEMBL3599017 0.76 RPS6KA3 (0.44) KDM4C
SCHEMBL10978833 0.74 CYP19A1 (0.58) NPY5RCYP19A1DHODHKDM4CNPC1
SCHEMBL15060418 0.73 NPC1 (0.56) CDK4CCND1CYP19A1DHODHNPC1

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 CDK4 64/4885CCND1 113/4885NPY5R 2670/4885

“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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