SCHEMBL22987662

SCHEMBL22987662

Cc1cscc1-c1nc2c3ccccc3nc(Cl)n2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.46
ADORA1 P30542 3/20 0.46
GRM2 Q14416 1/20 0.43
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL22979556 0.84 ADORA3 (0.40) ADORA3ADORA1PDE10AMAPTKDM4E
SCHEMBL29646313 0.84 ADORA3 (0.40) ADORA3ADORA1PDE10AMAPTKDM4E
SCHEMBL22979102 0.84 ADORA3 (0.50) ADORA3ADORA1PDE10AMAPTKDM4E
SCHEMBL29646428 0.84 ADORA3 (0.50) ADORA3ADORA1PDE10AMAPTKDM4E
SCHEMBL22988042 0.82 ADORA3 (0.46) ADORA3ADORA1PDE10AMAPTKDM4E
SCHEMBL22988045 0.80 ADORA3 (0.51) ADORA3ADORA1MAPTPOLB
SCHEMBL22987398 0.79 HPGD (0.51) ADORA3ADORA1MAPTHSD17B10ADORA2A
SCHEMBL29646409 0.79 HPGD (0.51) ADORA3ADORA1MAPTHSD17B10ADORA2A
SCHEMBL22979023 0.77 ADORA3 (0.69) ADORA3ADORA1MAPTPOLB
SCHEMBL29646414 0.77 ADORA3 (0.69) ADORA3ADORA1MAPTPOLB

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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 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 (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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 ADORA3 34/4885ADORA1 21/4885GRM2 2922/4885

“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.