SCHEMBL3600494

SCHEMBL3600494

O=C(O)c1c(-c2ccc(Br)cc2)[nH]c2c1ccc1cnccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ MAPK12 P53778 3/20 0.37
▸ MAPK13 O15264 2/20 0.37
▸ GCGR P47871 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ DHODH Q02127 3/20 0.37
▸ IMPDH2 P12268 2/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ LIMK1 P53667 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ CSNK2A1 P68400 2/20 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
SCHEMBL3603414 0.90 CDC7 (0.43) CDC7RPS6KB1MAPK12MAPK13MAPK11
SCHEMBL3594823 0.89 CDC7 (0.45) CDC7RPS6KB1ROS1MAPK12MAPK13
SCHEMBL3608210 0.88 DHODH (0.44) CDC7RPS6KB1MAPK12DHODHIMPDH2
SCHEMBL15005727 0.83 CDC7 (0.37) CDC7RPS6KB1ROS1MAPK12MAPK13
SCHEMBL15005240 0.80 CDC7 (0.40) CDC7RPS6KB1ROS1MAPK12MAPK13
SCHEMBL3598022 0.80 ERN1 (0.45) CDC7RPS6KB1MAPK12MAPK13GCGR
SCHEMBL3597459 0.79 MAP2 (0.48) CDC7DHODHIMPDH2CDK8CLK4
SCHEMBL3590152 0.78 CDC7 (0.43) CDC7RPS6KB1MAPK12MAPK13PIM1
SCHEMBL3599649 0.73 CDK1 (0.44) CDC7RPS6KB1MAPK12MAPK13GCGR
SCHEMBL15005624 0.70 MAP2 (0.42) CDC7RPS6KB1MAPK12IMPDH2PIM1

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 10 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 claimed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 — — US claimed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 — — US claimed
EP-2118102-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES Nerviano Medical Sciences S.r.l. (IT) 2009-11-18 — — EP claimed
WO-2008065054-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-05 — — WO claimed
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 CDC7 1/4885RPS6KB1 413/4885ROS1 494/4885

“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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