SCHEMBL3604928

SCHEMBL3604928

[2H]c1c(C(=O)OC)n(C)c2c1ccc1[nH]ncc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37
CDK2 P24941 5/20 0.37
CCNE1 P24864 4/20 0.37
CDK3 Q00526 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAP4K1 Q92918 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL3591042 0.89 L3MBTL1 (0.44) KDM4ESTAT3HIF1ACDK2CCNE1
SCHEMBL3603999 0.78 CDK2 (0.34) KDM4ECDK2CCNE1CDK3NPC1
SCHEMBL3594601 0.76 MCL1 (0.41) KDM4ECDK2CCNE1CDK3ROCK2
SCHEMBL3598556 0.74 CDK2 (0.44) CDK2CCNE1CDK3ROCK2ROCK1
SCHEMBL9941705 0.65 KDM4E (0.41) KDM4ESTAT3HIF1ACDK2CCNE1
SCHEMBL1580264 0.65 TSHR (0.47) KDM4ESTAT3HIF1ACDK2ESR1
SCHEMBL543204 0.65 NOS1 (0.44) KDM4ESTAT3HIF1ACDK2CCNE1
SCHEMBL2865329 0.65 TSHR (0.47) KDM4ESTAT3HIF1ACDK2ESR1
SCHEMBL31719176 0.65 METTL3 (0.50) KDM4ESTAT3HIF1AMAPTTSHR
SCHEMBL543898 0.65 METTL3 (0.50) KDM4ESTAT3HIF1AMAPTTSHR

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 KDM4E 1753/4885STAT3 524/4885HIF1A 3290/4885

“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.