SCHEMBL2302256

SCHEMBL2302256

CC(=O)c1cccnc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAPRT Q6XQN6 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
MYC P01106 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PRKCI P41743 1/20 0.35
KMT2A Q03164 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
SCHEMBL3398126 0.79 NAPRT (0.39) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL870085 0.79 KDM4E (0.36) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL1353016 0.77 TRIM24 (0.41) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL24963302 0.76 NAPRT (0.44) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL4440614 0.75 TUBB4A (0.35) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL17700417 0.74 KDM4E (0.38) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL17220649 0.73 ALDH1A1 (0.40) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL13089633 0.72 AGTR1 (0.45) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL3006650 0.71 KDM4E (0.74) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL1819971 0.70 POLB (0.55) KDM4EALDH1A1TSHRNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410277-B2 Method for manufacturing heterocycle substituted pyridine derivatives Eisai R&D Managment Co., Ltd. (JP) 2013-04-02 US disclosed
US-20110263845-A1 METHOD FOR MANUFACTURING HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-10-27 US disclosed
EP-2351752-A1 PYRIDINE DERIVATIVE HAVING SUBSTITUTED HETERO RING AND SUBSTITUTED y-GLUTAMYLAMINO GROUP, AND ANTI-FUNGAL AGENT COMPRISING SAME Eisai R&D Management Co., Ltd. (JP) 2011-08-03 EP disclosed
EP-2226320-A1 PROCESS FOR PRODUCTION OF HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-08 EP 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-20110263845-A1 METHOD FOR MANUFACTURING HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVES CBR3, NQO1, F12 KDM4E 228/4885ALDH1A1 786/4885CYP3A4 73/4885

“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.