SCHEMBL964359

SCHEMBL964359

Cc1nn(C)c(-c2cccc3cccnc23)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
KDM4E B2RXH2 6/20 0.40
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
GAA P10253 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
MAPK1 P28482 2/20 0.40
CCR1 P32246 4/20 0.39
CCR8 P51685 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTT P42858 3/20 0.39
CCR5 P51681 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL965207 0.83 ALDH1A1 (0.48) KDM4EMAPTNPSR1GAAAPOBEC3G
SCHEMBL965204 0.83 ALDH1A1 (0.48) KDM4EMAPTNPSR1GAAAPOBEC3G
SCHEMBL966660 0.80 KDM4E (0.36) KDM4EMAPTNPSR1GAAAPOBEC3G
SCHEMBL966661 0.80 KDM4E (0.36) KDM4EMAPTNPSR1GAAAPOBEC3G
SCHEMBL963049 0.80 ERN1 (0.42) ERN1KDM4EMAPTGAALMNA
SCHEMBL966646 0.79 ALDH1A1 (0.41) KDM4EMAPTNPSR1GAAAPOBEC3G
SCHEMBL28008054 0.71 KDM4E (0.58) KDM4EMAPTNPSR1GAAAPOBEC3G
SCHEMBL19209467 0.69 ALDH1A1 (0.49) ERN1KDM4EMAPTHTTLMNA
SCHEMBL964466 0.69 TDP2 (0.45) ERN1KDM4EMAPTGAAMAPK1
SCHEMBL962123 0.68 L3MBTL1 (0.40) ERN1MAPTHTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ERN1 4075/4885KDM4E 1314/4885MAPT 4343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ERN1 3631/4885KDM4E 1776/4885MAPT 4720/4885

“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.