SCHEMBL22987995

SCHEMBL22987995

Cc1nn(C)cc1-c1nc2c3cccc(C(F)(F)F)c3nc(N[C@H]3CN(C(=O)OCc4ccccc4)CCNC3=O)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
USP30 Q70CQ3 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TRPC3 Q13507 2/20 0.33
TRPC7 Q9HCX4 2/20 0.33
PIK3CD O00329 1/20 0.32
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
PARP1 P09874 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA1 P30542 3/20 0.32
ADORA2A P29274 2/20 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
SCHEMBL22988318 1.00 BRD4 (0.38) BRD4CREBBPUSP30NR1H2NR1H3
SCHEMBL30393209 1.00 BRD4 (0.38) BRD4CREBBPUSP30NR1H2NR1H3
SCHEMBL30393124 1.00 BRD4 (0.38) BRD4CREBBPUSP30NR1H2NR1H3
SCHEMBL22987750 0.93 USP30 (0.34) BRD4CREBBPUSP30NR1H2NR1H3
SCHEMBL25118701 0.93 USP30 (0.34) BRD4CREBBPUSP30NR1H2NR1H3
SCHEMBL22987781 0.92 USP30 (0.35) BRD4CREBBPUSP30TRPC3TRPC7
SCHEMBL22988272 0.92 USP30 (0.35) USP30TRPC3TRPC7PIK3CDJAK2
SCHEMBL22987467 0.89 NR1H2 (0.35) BRD4CREBBPUSP30NR1H2NR1H3
SCHEMBL22987716 0.87 NR1H2 (0.35) USP30NR1H2NR1H3TRPC3TRPC7
SCHEMBL22987671 0.87 TRPC3 (0.41) USP30NR1H2NR1H3TRPC3TRPC7

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 BRD4 443/4885CREBBP 2500/4885USP30 2695/4885

“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.