SCHEMBL18355754

SCHEMBL18355754

Cc1ccc2nc(C)n(-c3ccc(C(O)CBr)cc3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.36
PDE2A O00408 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
DYRK1A Q13627 1/20 0.34
MAPT P10636 2/20 0.34
HCAR1 Q9BXC0 3/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 2/20 0.32
ATM Q13315 1/20 0.32
MAPK1 P28482 2/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.82 TP53 (0.49) PDE10AMAPTPOLBTP53
SCHEMBL18356153 0.77 MAPK1 (0.59) SMN1; SMN2MAPTPOLBMAPK1HTT
SCHEMBL18355803 0.76 GSK3B (0.44) SMN1; SMN2MAPTHCAR1POLBTP53
SCHEMBL540987 0.74 MAPK1 (0.56) SMN1; SMN2HCAR1MAPK1HTT
SCHEMBL18355769 0.72 GRIN1 (0.32) POLB
SCHEMBL28100984 0.72 MAPT (0.41) SMN1; SMN2MAPTHCAR1POLBTP53
SCHEMBL2194913 0.66 HCAR1 (0.50) SMN1; SMN2DYRK1AMAPTHCAR1POLB
SCHEMBL2195935 0.65 HCAR1 (0.48) PDE10ASMN1; SMN2DYRK1AMAPTHCAR1
SCHEMBL28008223 0.64 KMT2A (0.44) SMN1; SMN2MAPTPOLBTP53MAPK1
SCHEMBL20637470 0.64 BRD9 (0.45) DYRK1AMAPTPOLBTDP1

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 PDE10A 1884/4885PDE2A 1234/4885SMN1; SMN2 2364/4885

“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.