SCHEMBL7968402

SCHEMBL7968402

CCNC(=O)c1ccc(NC)c(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.63
ALOX15 P16050 1/20 0.63
KDM4E B2RXH2 5/20 0.54
GAA P10253 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
THRB P10828 2/20 0.54
HPGD P15428 2/20 0.54
GFER P55789 2/20 0.54
HTT P42858 1/20 0.54
PLEC Q15149 1/20 0.54
PTGER4 P35408 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.43
PDK2 Q15119 2/20 0.40
NPC1 O15118 1/20 0.40
LRRK2 Q5S007 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL1418330 0.87 ALOX15 (0.52) PRKCIALOX15KDM4EGAAALDH1A1
SCHEMBL2248152 0.83 PRKCI (0.71) PRKCIALOX15KDM4EGAAALDH1A1
SCHEMBL22382565 0.82 PTGER4 (0.60) PRKCIALOX15ALDH1A1MAPTHPGD
SCHEMBL31208313 0.82 PTGER4 (0.60) PRKCIALOX15ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL2952907 0.81 ALOX15 (0.56) ALOX15KDM4EGAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL27687311 0.81 ALOX15 (0.56) ALOX15KDM4EGAAALDH1A1MAPT
SCHEMBL18229474 0.81 PRKCI (0.69) PRKCIALOX15KDM4EGAAALDH1A1
SCHEMBL13462252 0.81 PRKCI (0.55) PRKCIALOX15KDM4EGAAALDH1A1
SCHEMBL2248500 0.81 PRKCI (0.55) PRKCIALOX15KDM4EGAAALDH1A1
SCHEMBL3250190 0.80 MAPT (0.59) ALOX15KDM4EGAAALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 PRKCI 1678/4885ALOX15 335/4885KDM4E 3912/4885

“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.