SCHEMBL7935594

SCHEMBL7935594

CCSc1cnc(C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL31461876 1.00 CHRNB2 (0.37) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A
SCHEMBL16430586 0.88 CHRNB2 (0.39) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A
SCHEMBL9071120 0.77 KDM4E (0.35) SMN1; SMN2ALDH1A1KDM4EATML3MBTL1
SCHEMBL16430682 0.76 CHRNB2 (0.33) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A
SCHEMBL901273 0.73 UHRF1 (0.31) LMNAALDH1A1KDM4EMAPTCYP1A2
SCHEMBL891368 0.73
SCHEMBL25813140 0.72 AOC3 (0.40) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A
SCHEMBL12248364 0.72 CHRNB2 (0.32) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL12659908 0.71 NPC1 (0.50) CHRNB2CHRNA4SMN1; SMN2NPC1RAB9A
SCHEMBL82304 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-21 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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 (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-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF TRPA1, DDT, HPD CHRNB2 4333/4885CHRNA4 3716/4885SMN1; SMN2 4044/4885
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 CHRNB2 256/4885CHRNA4 664/4885SMN1; SMN2 576/4885

“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.