SCHEMBL22987467

SCHEMBL22987467

Cn1cc(-c2nc3c4cccc(C(F)(F)F)c4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
BRD4 O60885 4/20 0.34
CREBBP Q92793 4/20 0.34
ADORA3 P0DMS8 4/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
PARP1 P09874 2/20 0.33
TRPC3 Q13507 2/20 0.33
TRPC7 Q9HCX4 2/20 0.33
USP30 Q70CQ3 1/20 0.33
IRAK1 P51617 1/20 0.33
PIK3CD O00329 1/20 0.33
GPR39 O43194 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 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
SCHEMBL25118878 0.93 NR1H2 (0.37) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL30393384 0.93 NR1H2 (0.34) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL30393404 0.93 NR1H2 (0.34) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL22987689 0.93 NR1H2 (0.34) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL22987754 0.93 NR1H2 (0.34) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL22987752 0.93 NR1H2 (0.34) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL22987658 0.93 NR1H2 (0.37) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL22988171 0.93 ADORA3 (0.35) ADORA3ADORA2AADORA1PARP1TRPC3
SCHEMBL22987599 0.92 TNKS (0.35) ADORA3ADORA2AADORA1PARP1TRPC3
SCHEMBL22987521 0.92 ADORA3 (0.35) ADORA3ADORA2AADORA1PARP1TRPC3

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 NR1H2 296/4885NR1H3 422/4885BRD4 443/4885

“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.