SCHEMBL7979824

SCHEMBL7979824

CCn1c(-c2ccc(N)cc2)nnc1C(C)(C)Oc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
ADRB2 P07550 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 2/20 0.34
CACNA2D1 P54289 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL12671350 0.86 TSHR (0.37) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL7978345 0.85 ACSS2 (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL7989327 0.84 MAOB (0.32) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7982039 0.84 RORC (0.41) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL7984625 0.84 KDM4E (0.36) KDM4EALDH1A1HPGDADRB2APOBEC3A
SCHEMBL7978316 0.82 KDM4E (0.34) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL7985259 0.82 HSD11B1 (0.38) HSD11B1
SCHEMBL7992001 0.82 KDM4E (0.39) KDM4EALDH1A1HPGDADRB2APOBEC3A
SCHEMBL7971805 0.81 KDM4E (0.36) KDM4EALDH1A1HPGDADRB2APOBEC3A
SCHEMBL7971540 0.80 ALDH1A1 (0.37) KDM4ETSHRALDH1A1HPGDADRB2

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 3 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
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 KDM4E 3912/4885TSHR 690/4885MEN1 2484/4885

“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.