SCHEMBL18356153

SCHEMBL18356153

Cc1nc2ccccc2n1-c1ccc(C(O)CBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
AGER Q15109 1/20 0.42
HRH3 Q9Y5N1 7/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18355591 0.81 TP53 (0.49) POLBMAPT
SCHEMBL18355754 0.77 PDE10A (0.36) MAPK1HTTSMN1; SMN2POLBMAPT
SCHEMBL9257140 0.77 MAPK1 (0.70) MAPK1HTTTSHRSMN1; SMN2RAB9A
SCHEMBL338236 0.76 MAPK1 (0.74) MAPK1HTTTSHRSMN1; SMN2POLB
SCHEMBL7760076 0.76 MAPK1 (0.79) MAPK1HTTTSHRSMN1; SMN2NPC1
SCHEMBL18355592 0.76 MAPK1 (0.59) MAPK1HTTHSD17B10HRH3KCNH2
SCHEMBL540947 0.76 MAPK1 (1.00) MAPK1HTTTSHRSMN1; SMN2NPC1
Bromide SCHEMBL18614520 0.75 MAPK1 (0.57) MAPK1HTTHSD17B10HRH3KCNH2
SCHEMBL9263231 0.73 MAPK1 (0.74) MAPK1HTTTSHRSMN1; SMN2POLB
SCHEMBL13495663 0.73 MAPK1 (0.74) MAPK1HTTTSHRSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 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 (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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 MAPK1 976/4885HTT 4358/4885TSHR 609/4885

“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.