SCHEMBL3599017

SCHEMBL3599017

CN1CCN(c2ccc(-c3cc4ccc5cnccc5c4[nH]3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.44
▸ RPS6KA2 Q15349 1/20 0.44
▸ RPS6KA1 Q15418 1/20 0.44
▸ ALK Q9UM73 4/20 0.43
▸ MELK Q14680 2/20 0.43
▸ CHEK1 O14757 3/20 0.43
▸ BRAF P15056 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ LATS1 O95835 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FLT1 P17948 1/20 0.41

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
SCHEMBL3591016 0.87 MAPK10 (0.50) RPS6KA3RPS6KA2RPS6KA1FGFR1FLT1
SCHEMBL3606588 0.78 CLK1 (0.44) RPS6KA3AURKACHEK2CSNK1DFGFR1
SCHEMBL3599649 0.76 CDK1 (0.44) RPS6KA3AURKACHEK2CSNK1DFGFR1
SCHEMBL3603159 0.76 CDK4 (0.48) KDM4C
SCHEMBL13977101 0.73 MELK (0.56) RPS6KA3RPS6KA2RPS6KA1ALKMELK
SCHEMBL24596934 0.69 CDC7 (0.76) ALKFYNMAPKAPK2
SCHEMBL4192334 0.69 MAPK14 (0.61) MELKCHEK1BRAFAURKACHEK2
SCHEMBL28337260 0.69 MELK (0.69) RPS6KA3RPS6KA2RPS6KA1MELKCHEK1
SCHEMBL19137960 0.68 DGAT1 (0.60) BRAFAURKAFGFR1FLT1
SCHEMBL4183476 0.68 CDC7 (0.67) —

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 3 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

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 RPS6KA3 219/4885RPS6KA2 355/4885RPS6KA1 292/4885

“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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