SCHEMBL3590440

SCHEMBL3590440

CCOC(=O)c1c2c(n(C)c1Br)-c1ccncc1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.39
SMAD3 P84022 1/20 0.39
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK6 Q00534 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
BRAF P15056 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL3597842 0.83 CDK4 (0.39) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL3593137 0.77 KDM5A (0.42) CDK2ALDH1A1KDM5AKDM5BHPGD
Bromide SCHEMBL3593135 0.76 KDM5A (0.42) CDK2ALDH1A1KDM5AKDM5BHPGD
SCHEMBL3603849 0.75 MAPT (0.41) APAF1SMAD3ALDH1A1TSHRHPGD
SCHEMBL3602746 0.72 ALOX5 (0.47) ALDH1A1KDM5AKDM5BTSHRHPGD
SCHEMBL3599326 0.71 ALDH1A1 (0.43) ALDH1A1KDM5AKDM5BTSHRHPGD
SCHEMBL6790309 0.71 CCNA2 (0.43) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL3599880 0.70 KDM4E (0.42) ALDH1A1KDM5AKDM5BTSHRBRAF
SCHEMBL21855441 0.70 CDC7 (0.42) ALDH1A1KDM5AKDM5BTSHRHPGD
SCHEMBL6794272 0.70 CCNA2 (0.37) CDK4CCNA2CDK2CCND3CCNA1

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 APAF1 3325/4885SMAD3 386/4885CDK4 64/4885

“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.