SCHEMBL22987741

SCHEMBL22987741

Cn1cc(-c2nc3c4cccc(C#N)c4nc(Cl)n3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.41
PIK3R1 P27986 6/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FASN P49327 1/20 0.36
BRD4 O60885 1/20 0.34

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
SCHEMBL22988399 0.87 ADORA2A (0.45) PIK3CDPIK3R1ADORA3ADORA2AADORA1
SCHEMBL22987742 0.87 JAK2 (0.37) ADORA3ADORA2AADORA1
SCHEMBL22988110 0.86 KDM5A (0.36) PIK3CDPIK3R1
SCHEMBL22979975 0.85 HSP90AB1 (0.42) CNR2ADORA3ADORA2AADORA1BRD4
SCHEMBL29646457 0.85 PIK3CD (0.33) PIK3CDADORA3ADORA2AADORA1
SCHEMBL22979970 0.85 PIK3CD (0.33) PIK3CDADORA3ADORA2AADORA1
SCHEMBL22987424 0.84 ADORA3 (0.40) ADORA3ADORA2AADORA1BRD4
SCHEMBL25118697 0.84 KDM5A (0.38) PIK3CDPIK3R1
SCHEMBL22979176 0.84 ADORA3 (0.39) ADORA3ADORA2AADORA1BRD4
SCHEMBL22987463 0.84 ADORA3 (0.39) PIK3CDPIK3R1ADORA3ADORA2AADORA1

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 PIK3CD 2082/4885PIK3R1 1691/4885CNR1 61/4885

“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.