SCHEMBL3594601

SCHEMBL3594601

Cn1c(C(=O)O)cc2ccc3[nH]ncc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GPR35 Q9HC97 1/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FDPS P14324 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CDK2 P24941 2/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
GLA P06280 1/20 0.35
ATM Q13315 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3598556 0.88 CDK2 (0.44) ROCK2ROCK1CDK2CCNA2CCNA1
SCHEMBL3591042 0.86 L3MBTL1 (0.44) KDM4EALDH1A1ROCK2ROCK1CDK2
SCHEMBL3603999 0.80 CDK2 (0.34) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3604928 0.76 KDM4E (0.37) KDM4EALDH1A1ROCK2ROCK1CDK2
SCHEMBL10356078 0.71 MCL1 (0.57) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3598794 0.70 CDK2 (0.40) HCAR2CDK2CCNA2CCNA1IDO1
SCHEMBL4468265 0.69 JAK3 (0.48) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15730197 0.68 NOS1 (0.41) KDM4EALDH1A1HPGDROCK2ROCK1
SCHEMBL26581762 0.68 MCL1 (0.49) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10653112 0.68 TLR9 (0.39) IDO1METAP2

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 MCL1 1102/4885KDM4E 1753/4885ALDH1A1 2469/4885

“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.