SCHEMBL17229853

SCHEMBL17229853

CNCc1ccc2nnc(C(C)C)n2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
MET P08581 4/20 0.33
MAP4K4 O95819 2/20 0.33
MAPK9 P45984 2/20 0.33
CSNK1D P48730 2/20 0.33
MINK1 Q8N4C8 2/20 0.33
PRKD2 Q9BZL6 2/20 0.33
PRKD3 O94806 1/20 0.33
EGFR P00533 1/20 0.32
MAPK14 Q16539 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
BRD4 O60885 1/20 0.32
NOTUM Q6P988 1/20 0.31
MEN1 O00255 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
SCHEMBL12891156 0.73 MET (0.36) KDM4EMETMAP4K4MAPK9CSNK1D
SCHEMBL4817342 0.71 MAP4K4 (0.38) KDM4EMETMAP4K4MAPK9CSNK1D
SCHEMBL4300579 0.71 MAP4K4 (0.36) KDM4EMETMAP4K4MAPK9CSNK1D
SCHEMBL937870 0.71 KDM4E (0.58) KDM4EMETMAP4K4MAPK9CSNK1D
SCHEMBL17465971 0.70 MAPK14 (0.46) MAPK14
SCHEMBL13248525 0.69 MAP4K4 (0.34) KDM4EMETMAP4K4MAPK9CSNK1D
SCHEMBL3237339 0.68 KDM4E (0.34) KDM4EMETMAP4K4MAPK9CSNK1D
SCHEMBL22109206 0.68 PDE10A (0.33) KDM4EMETMEN1KMT2A
SCHEMBL9056860 0.66 MAPK14 (0.47) MAP4K4MAPK9CSNK1DMINK1PRKD2
SCHEMBL4301301 0.66 MAP4K4 (0.33) KDM4EMETMAP4K4MAPK9CSNK1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434727-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-09-06 US disclosed
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 KDM4E 1520/4885TP53 3152/4885MET 693/4885

“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.