Sugi Predict

Sugi Predict / Compounds / SCHEMBL7709889

SCHEMBL7709889

SCHEMBL7709889

O=Cc1cc(-c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ERN1 O75460 2/20 0.38
▸ RHEB Q15382 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 0.35
▸ TUBB3 Q13509 2/20 0.35
▸ TUBB2A Q13885 2/20 0.35
▸ TUBB8 Q3ZCM7 2/20 0.35
▸ TUBA3E Q6PEY2 2/20 0.35
▸ TUBA1A Q71U36 2/20 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
SCHEMBL7704641 0.78 GSK3B (0.43) MAPK13MAPK12MAPK11MAPK14RHEB
SCHEMBL7705212 0.78 CYP19A1 (0.44) MAPK13MAPK12MAPK11MAPK14RHEB
SCHEMBL7714695 0.78 KDM4E (0.45) MAPK13MAPK12MAPK11MAPK14RHEB
SCHEMBL7711945 0.77 RHEB (0.41) RHEBMAPTKDM4EKMT2AALDH1A1
SCHEMBL7716018 0.77 TUBB4A (0.50) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7711547 0.76 FAAH (0.54) RHEBMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL14739766 0.76 FAAH (0.47) RHEBMAPTKDM4EKMT2ACYP1A2
SCHEMBL7712425 0.76 TUBB4A (0.41) RHEBMAPTKDM4ETUBB4ATUBB
SCHEMBL14753457 0.76 TBK1 (0.44) RHEBMAPTKDM4ETUBB4ATUBB
SCHEMBL14739403 0.75 PTGS2 (0.50) MAPTKDM4ECCNB2CDK1CCNB1

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-2566481-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH Merck Sharp & Dohme Corp. (US) 2013-03-13 — — EP 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
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 MAPK13 3456/4885MAPK12 2906/4885MAPK11 3628/4885

“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.