SCHEMBL13184407

SCHEMBL13184407

CCn1nc(C)c(Cl)c1C(=O)c1ccc(C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ NR3C1 P04150 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ENPP3 O14638 2/20 0.36
▸ ALPL P05186 2/20 0.36
▸ XIAP P98170 2/20 0.36
▸ ELANE P08246 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL13683179 0.82 KDM4E (0.47) KDM4EMAPTALDH1A1KMT2AHDAC1
SCHEMBL13184405 0.81 KDM4E (0.47) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL13184413 0.74 MAPT (0.49) KDM4EMAPTALDH1A1KMT2AHDAC1
SCHEMBL13184424 0.74 KDM4E (0.44) KDM4EALDH1A1KMT2AMEN1CRHBP
SCHEMBL28491930 0.72 KDM4E (0.45) KDM4EMAPTALDH1A1KMT2ACRHBP
SCHEMBL21753597 0.72 KDM4E (0.45) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL22582787 0.71 KMT2A (0.53) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL4400941 0.71 HDAC1 (0.64) KDM4EMAPTALDH1A1KMT2AHDAC1
SCHEMBL13683138 0.69 POLB (0.43) KDM4EMAPTALDH1A1KMT2AHDAC1
SCHEMBL102723 0.68 KMT2A (0.46) KDM4EMAPTALDH1A1KMT2ACRHBP

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-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — 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 (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 3949/4885MAPT 4063/4885ALDH1A1 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.

Send feedback