SCHEMBL1834470

SCHEMBL1834470

CC(C)(C)c1cccnc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
AHR P35869 1/20 0.40
RAB9A P51151 1/20 0.40
PARP1 P09874 1/20 0.40
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PLCG1 P19174 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
SCHEMBL5241823 0.83 KDM4E (0.55) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
SCHEMBL14208205 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
SCHEMBL21198567 0.83 SMN1; SMN2 (0.38) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29503760 0.83 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
Hydrochloric Acid SCHEMBL3242526 0.81 KDM4E (0.53) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
SCHEMBL1570557 0.81 CTNNB1 (0.45) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL25226224 0.80 CTNNB1 (0.44) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
SCHEMBL14803563 0.79 P2RY1 (0.44) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
SCHEMBL14803552 0.79 L3MBTL1 (0.57) ALDH1A1KDM4EL3MBTL1ALOX15NPSR1
SCHEMBL14803765 0.79 PLK1 (0.43) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003516-A1 PYRIDINE DERIVATIVES AS TMEM16A MODULATORS FOR USE IN THE TREATMENT OF RESPIRATORY CONDITIONS TMEM16A LIMITED (GB) 2022-06-01 EP disclosed
EP-4003977-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS TMEM16A LIMITED (GB) 2022-06-01 EP disclosed
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 US disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
EP-2318368-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. Organon (NL) 2011-05-11 EP disclosed
WO-2010025179-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2010-03-04 WO disclosed
EP-0619819-A1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1994-10-19 EP disclosed
EP-0359499-A2 Fluoro substituted benzocycloheptapyridine compounds, compositions and methods of use as antihistaminic compounds SCHERING CORPORATION (US) 1990-03-21 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 (3 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-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 ALDH1A1 88/4885KDM4E 3742/4885HPGD 250/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A ALDH1A1 97/4885KDM4E 3756/4885HPGD 274/4885
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 ALDH1A1 2966/4885KDM4E 703/4885HPGD 3239/4885

“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.