SCHEMBL13184259

SCHEMBL13184259

CCn1nc(C(=O)c2ccccn2)c(C#N)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36

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
SCHEMBL14044112 0.77 GRM2 (0.36) KDM4EALDH1A1HSD17B10L3MBTL1HPGD
SCHEMBL16200362 0.71 KMT2A (0.42) KMT2AKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL13184424 0.68 KDM4E (0.44) KMT2AKDM4EALDH1A1HSD17B10RAB9A
Alcohol SCHEMBL9405122 0.67 KMT2A (0.62) KMT2AKDM4EALDH1A1HSD17B10RAB9A
Water SCHEMBL6228901 0.66 KMT2A (0.72) KMT2AKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL13184260 0.66 KMT2A (0.46) KMT2AKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL13683133 0.66 KMT2A (0.45) KMT2AKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL8358162 0.65 L3MBTL1 (0.55) KMT2AKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL87791 0.65 KMT2A (0.75) KMT2AKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL31369148 0.65 KMT2A (0.75) KMT2AKDM4EALDH1A1RAB9AL3MBTL1

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-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — 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 (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-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 KMT2A 3775/4885KDM4E 3949/4885ALDH1A1 951/4885

“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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