SCHEMBL7712475

SCHEMBL7712475

OC1CC=C(c2[nH]c3ncccc3c2Sc2ccc(Cl)cn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
FAAH O00519 1/20 0.33
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PDK2 Q15119 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL7716028 0.87 FAAH (0.41) CCNT1CDK9FAAHRETKDR
SCHEMBL14739169 0.78 PDK2 (0.37) CDK9FAAHRETKDRDDB1
SCHEMBL14739167 0.78 PDK2 (0.37) CDK9FAAHRETKDRDDB1
SCHEMBL14753484 0.78 PDK2 (0.37) CDK9FAAHRETKDRDDB1
SCHEMBL7711226 0.75 CCNT1 (0.36) CCNT1CDK9RETKDRPDK2
SCHEMBL7712272 0.74 ESR2 (0.36) CCNT1CDK9FAAHRET
SCHEMBL7713677 0.74 CDK9 (0.44) CCNT1CDK9
SCHEMBL14739411 0.74 AXL (0.36)
SCHEMBL14753468 0.72 CCNT1 (0.40) CCNT1CDK9PDK2
SCHEMBL14739327 0.71 CLK4 (0.40) FAAH

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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 CCNT1 2182/4885CDK9 977/4885FAAH 1/4885

“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.