SCHEMBL13184401

SCHEMBL13184401

Cc1cc(C(=O)c2cc(C)nn2C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ KDM5A P29375 2/20 0.38
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM5B Q9UGL1 2/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ JMJD6 Q6NYC1 3/20 0.37
▸ KCNT1 Q5JUK3 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ UHRF1 Q96T88 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CCR9 P51686 1/20 0.36
▸ HTT P42858 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
SCHEMBL14043921 0.81 MAPT (0.49) KDM4EENPP3ALPLXIAPKDM5A
SCHEMBL27637077 0.79 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2GAAALDH1A1POLB
SCHEMBL3356107 0.79 UHRF1 (0.50) KDM4EKDM5AKDM4CKDM5BPROKR1
SCHEMBL13184400 0.79 ALDH1A1 (0.43) SMN1; SMN2GAAALDH1A1POLBMAPT
SCHEMBL13184263 0.77 BAZ2B (0.47) KDM4EENPP3ALPLXIAPKDM5A
SCHEMBL16460459 0.76 GSK3B (0.47) KDM4EENPP3ALPLXIAPKDM4C
SCHEMBL13683131 0.74 GRM5 (0.42) KDM4EENPP3ALPLXIAPKDM5A
SCHEMBL16200404 0.74 POLB (0.43) KDM4EENPP3ALPLXIAPPROKR1
SCHEMBL13184426 0.74 GRM5 (0.37) KDM4EENPP3ALPLXIAPKDM5A
SCHEMBL16139761 0.71 KMT2A (0.57) KDM4EKDM4CSMN1; SMN2ALDH1A1POLB

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 KDM4E 3949/4885ENPP3 1762/4885ALPL 4719/4885

“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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