SCHEMBL6708562

SCHEMBL6708562

N#Cc1ccc(Cc2ncc(CN(CC3CCCCC3)c3ccc(N4CCNCC4)cc3)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 16/20 0.38
CCNK O75909 1/20 0.37
CDK13 Q14004 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 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
SCHEMBL6714998 0.84 MAPKAPK2 (0.46) MAPKAPK2CCNKCDK13CDK12
SCHEMBL6708558 0.78 KCNH2 (0.46) FNTAFNTBPGGT1B
SCHEMBL6986524 0.71 BRS3 (0.42) MAPKAPK2
Hydrochloric Acid SCHEMBL7830292 0.70 CHRM4 (0.42)
SCHEMBL7841577 0.69 NOS2 (0.47) MAPKAPK2FNTAFNTBPGGT1B
SCHEMBL6983349 0.68 GAA (0.49)
SCHEMBL6981309 0.68 MAPT (0.42)
SCHEMBL7838567 0.66 BRS3 (0.46)
SCHEMBL7927439 0.66 PSEN1 (0.45)
SCHEMBL8113523 0.64 MAOA (0.42) CTSK

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
US-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same PIERRE FABRE MEDICAMENT (FR) 2004-05-13 US disclosed
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 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-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same CBR3, CBR1, HCCS MAPKAPK2 3489/4885CCNK 1352/4885CDK13 2367/4885

“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.