SCHEMBL3596692

SCHEMBL3596692

CCOC(=O)c1c(-c2ccccc2)[nH]c(-c2nc(N)ncc2Br)c1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.52
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
ADORA3 P0DMS8 3/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GRM6 O15303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK10 P53779 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3603923 0.84 CDC7 (0.65) CDC7KMT2A
SCHEMBL4183402 0.78 CDC7 (0.66) CDC7KMT2A
SCHEMBL3588918 0.78 ALDH1A1 (0.46) RAB9AKDM4EHSD17B10TP53ALDH1A1
SCHEMBL4187750 0.72 CDC7 (0.65) CDC7KMT2A
SCHEMBL3603705 0.72 ALDH1A1 (0.47) RAB9AKDM4EHSD17B10TP53ALDH1A1
SCHEMBL4177182 0.71 CDC7 (0.72) CDC7RAB9AKDM4EHSD17B10TP53
SCHEMBL28775682 0.70 CDC7 (0.64) CDC7RAB9AKDM4ENPC1
SCHEMBL13977106 0.69 CDC7 (0.62) CDC7KMT2A
SCHEMBL4182044 0.68 CDC7 (1.00) CDC7
SCHEMBL15955800 0.68 HSP90AA1 (0.54) RAB9AKDM4EHSD17B10TP53ALDH1A1

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 CDC7 1/4885RAB9A 2144/4885KDM4E 1753/4885

“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.