SCHEMBL17433348

SCHEMBL17433348

Cc1ccc(C)c(CF)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCR1 P32246 2/20 0.39
RAB9A P51151 2/20 0.39
CCR5 P51681 1/20 0.39
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
GFER P55789 1/20 0.35
CYP1A2 P05177 3/20 0.33
CCR8 P51685 1/20 0.32
S1PR4 O95977 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
NOS3 P29474 2/20 0.30
NOS2 P35228 2/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL7127321 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL22853883 0.76 KDM4E (0.65) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL929424 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL18806278 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL29672807 0.76 KDM4E (0.65) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL10392770 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL20469316 0.74 KDM4E (0.38) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL24992666 0.73 KDM4E (0.41) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL12809079 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL20008568 0.70 KDM4E (0.38) KDM4EALDH1A1HPGDUSP2HSD17B10

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-20180222908-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-08-09 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US 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 (2 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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 KDM4E 4288/4885ALDH1A1 1468/4885HPGD 2028/4885
US-20180222908-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 KDM4E 2069/4885ALDH1A1 3951/4885HPGD 1972/4885

“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.