SCHEMBL14738672

SCHEMBL14738672

Clc1ccc(Sc2c(C3CCNCC3)[nH]c3ncccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 10/20 0.41
CCNT1 O60563 9/20 0.41
RHEB Q15382 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7711798 0.87 RHEB (0.39) CDK9RHEBSLC6A4PDK2KDM4E
SCHEMBL14738748 0.87 RHEB (0.39) CDK9RHEBSLC6A4PDK2KDM4E
SCHEMBL14738750 0.87 RHEB (0.39) CDK9RHEBSLC6A4PDK2KDM4E
SCHEMBL14738973 0.87 PDK2 (0.37) RHEBSLC6A4PDK2KDM4EALDH1A1
SCHEMBL14739631 0.87 PDK2 (0.37) RHEBSLC6A4PDK2KDM4EALDH1A1
SCHEMBL7712729 0.87 PDK2 (0.37) RHEBSLC6A4PDK2KDM4EALDH1A1
SCHEMBL7713818 0.86 RHEB (0.37) RHEBSLC6A4PDK2KDM4EALDH1A1
SCHEMBL14739552 0.80 MAPK11 (0.48) CDK9CCNT1SLC6A4
SCHEMBL7707688 0.80 HSD11B1 (0.47) SLC6A4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7712303 0.79 MAPK11 (0.47) HTR1ASLC6A4CYP3A4

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 4 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
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN 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 CDK9 977/4885CCNT1 2182/4885RHEB 2785/4885

“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.