SCHEMBL3594823

SCHEMBL3594823

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.45
▸ CDK5 Q00535 4/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ CLK1 P49759 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ PIP4K2A P48426 3/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ CLK4 Q9HAZ1 3/20 0.37
▸ PIM1 P11309 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ LIMK1 P53667 3/20 0.37
▸ ROCK1 Q13464 3/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ DYRK1B Q9Y463 2/20 0.37
▸ DAPK3 O43293 2/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ KDR P35968 2/20 0.37

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
SCHEMBL3590152 0.90 CDC7 (0.43) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3600494 0.89 CDC7 (0.40) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3597459 0.88 MAP2 (0.48) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL15005240 0.84 CDC7 (0.40) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL15005727 0.80 CDC7 (0.37) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3598022 0.79 ERN1 (0.45) CDC7CDK5DYRK1AIMPDH2CLK4
SCHEMBL3603414 0.78 CDC7 (0.43) CDC7CDK5DYRK1AIMPDH2PIM1
SCHEMBL3608210 0.77 DHODH (0.44) CDC7CDK5DYRK1AIMPDH2PIM1
SCHEMBL15005797 0.73 CDC7 (0.39) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3599649 0.72 CDK1 (0.44) CDC7CDK5DYRK1ACLK1IMPDH2

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 1/4885CDK5 6/4885DYRK1A 176/4885

“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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