SCHEMBL2053968

SCHEMBL2053968

Ic1c[nH]c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.48
GRM4 Q14833 2/20 0.43
HSP90AA1 P07900 4/20 0.39
MAPK1 P28482 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
ALOX15 P16050 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HIF1A Q16665 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SLC6A2 P23975 2/20 0.39
HSD17B10 Q99714 2/20 0.39
EGFR P00533 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
Tert-Butyl Formate SCHEMBL28090939 0.82 KDR (0.37) PSMD14GRM4TDP1KMT2APARP1
SCHEMBL2066259 0.75 PSMD14 (0.48) PSMD14GRM4HSP90AA1KDM4ELMNA
SCHEMBL31307015 0.75 PSMD14 (0.48) PSMD14GRM4HSP90AA1KDM4ELMNA
SCHEMBL369216 0.75 PSMD14 (0.48) PSMD14GRM4HSP90AA1KDM4ELMNA
SCHEMBL569155 0.75 AXL (0.50) PSMD14GRM4HSP90AA1MAPK1KDM4E
SCHEMBL13978041 0.75 PSMD14 (0.48) PSMD14GRM4HSP90AA1KDM4ELMNA
SCHEMBL3175822 0.75 PSMD14 (0.48) PSMD14GRM4HSP90AA1KDM4ELMNA
SCHEMBL19100792 0.75 GRM4 (0.54) PSMD14GRM4HSP90AA1KDM4ELMNA
SCHEMBL22510135 0.75 PSMD14 (0.48) PSMD14GRM4HSP90AA1KDM4ELMNA
SCHEMBL29364091 0.75 AXL (0.50) PSMD14GRM4HSP90AA1MAPK1KDM4E

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 US disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 EP disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 US disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 US disclosed
EP-2519520-A1 [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLOPYRIDINYL)-METHANONE DERIVATIVES AS TRYPTASE INHIBITORS SANOFI (FR) 2012-11-07 EP disclosed
CN-102770431-A [4[4- (5-aminomethyl-2-fluoro-phenyl) -piperidin-1-yl ] - (1H-pyrrolopyridin-yl) -methanone and its synthesis SANOFI SA 2012-11-07 CN disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
WO-2012052451-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-04-26 WO disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 WO disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 WO 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 (8 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 PSMD14 2816/4885GRM4 4436/4885HSP90AA1 1723/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 PSMD14 3519/4885GRM4 2889/4885HSP90AA1 1188/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 PSMD14 3519/4885GRM4 2889/4885HSP90AA1 1188/4885
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PSMD14 1813/4885GRM4 4777/4885HSP90AA1 1629/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PSMD14 1813/4885GRM4 4777/4885HSP90AA1 1629/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PSMD14 1813/4885GRM4 4777/4885HSP90AA1 1629/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 PSMD14 3781/4885GRM4 86/4885HSP90AA1 4464/4885
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF CMA1, TPSB2, TPH1 PSMD14 3242/4885GRM4 1518/4885HSP90AA1 2354/4885

“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.