SCHEMBL6061963

SCHEMBL6061963

COc1ccc(-c2ccc(C#N)cn2)cc1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
ATR Q13535 2/20 0.40
DGAT1 O75907 2/20 0.40
MAPK10 P53779 1/20 0.40
CHEK1 O14757 1/20 0.40
RHEB Q15382 1/20 0.40
KIT P10721 2/20 0.39
ADORA2A P29274 1/20 0.39
KCNH2 Q12809 1/20 0.39
AMY1A P0DUB6 3/20 0.38
CHEK2 O96017 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FASN P49327 1/20 0.38
PKN1 Q16512 1/20 0.37

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
SCHEMBL6508250 0.87 RHEB (0.47) KDM1ADGAT1MAPK10RHEBKIT
SCHEMBL6507881 0.82 RHEB (0.54) KDM1AATRDGAT1RHEBKIT
SCHEMBL6061570 0.79 METAP2 (0.45) KDM1AATRDGAT1RHEBKIT
SCHEMBL10765326 0.78 MAPK10 (0.42) MAPK10RHEBAMY1APKN1PKN2
SCHEMBL6513301 0.77 RHEB (0.44) DGAT1MAPK10CHEK1RHEBKIT
SCHEMBL10764183 0.77 MAPK10 (0.41) MAPK10RHEBAMY1ACHEK2FASN
SCHEMBL10765448 0.77 ATR (0.44) ATRMAPK10AMY1A
SCHEMBL5395912 0.76 PLAU (0.49)
SCHEMBL6530664 0.74 HDAC6 (0.40) AMY1AKDM4EALDH1A1HPGD
SCHEMBL10748660 0.73 CDK4 (0.46) MAPK10CHEK1RHEBAMY1APKN1

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
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO claimed
EP-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 EP disclosed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 US disclosed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 KDM1A 2197/4885ATR 1707/4885DGAT1 193/4885

“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.