SCHEMBL7982039

SCHEMBL7982039

CCn1c(-c2ccc(N)cc2)nnc1C(C)(C)Oc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRB2 P07550 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7978316 0.89 KDM4E (0.34) RORCKDM4EALDH1A1HPGDADRB2
SCHEMBL7981464 0.89 KDM4E (0.36) RORCKDM4EALDH1A1HPGDADRB2
SCHEMBL7988318 0.87 RORC (0.40) RORC
SCHEMBL12671346 0.87 RORC (0.40) RORCTSHR
SCHEMBL7981467 0.87 RORC (0.43) RORC
SCHEMBL7984625 0.87 KDM4E (0.36) KDM4EALDH1A1HPGDADRB2APOBEC3A
SCHEMBL7988390 0.85 HSD11B1 (0.38) RORC
SCHEMBL7979824 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDADRB2APOBEC3A
SCHEMBL7985365 0.84 RORC (0.38) RORCTSHR
SCHEMBL7971805 0.82 KDM4E (0.36) KDM4EALDH1A1HPGDADRB2APOBEC3A

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-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
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 RORC 574/4885KDM4E 3912/4885ALDH1A1 359/4885

“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.