SCHEMBL16891571

SCHEMBL16891571

CCc1ccccc1-c1cn(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2E1 P05181 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ TLR8 Q9NR97 1/20 0.46
▸ CASP6 P55212 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL24312960 0.82 CYP2D6 (0.58) CYP2C19CYP2C9CYP1A2CYP2D6KDM4E
SCHEMBL15829876 0.77 CYP1A2 (0.49) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL13564332 0.77 CASP6 (0.48) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL20102297 0.75 CYP2E1 (0.45) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL26855947 0.72 CYP2E1 (0.42) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL16885719 0.72 CYP2C19 (0.42) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL22635577 0.72 CYP2C9 (0.43) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9289349 0.71 KMT2A (0.50) TLR8CASP6KDM4ECYP3A4GRM5
SCHEMBL4777973 0.71 KDM4E (0.50) CYP2C19CYP2A6CYP2C9CYP1A2CYP2D6
SCHEMBL23103531 0.70 MAOA (0.40) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6

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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 — — US disclosed
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 — — US disclosed
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-07-09 — — 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 (3 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-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885CYP2E1 2425/4885CYP2A6 4000/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3509/4885CYP2E1 2548/4885CYP2A6 3873/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 2067/4885CYP2E1 2097/4885CYP2A6 3245/4885

“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.

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