SCHEMBL22987608

SCHEMBL22987608

Cn1cc(-c2nc3c4c(C(F)(F)F)cccc4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
BRD4 O60885 4/20 0.34
CREBBP Q92793 4/20 0.34
PARP1 P09874 2/20 0.33
TRPC3 Q13507 2/20 0.33
TRPC7 Q9HCX4 2/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR39 O43194 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
CXCR3 P49682 1/20 0.32
LCK P06239 2/20 0.32
SLC5A1 P13866 1/20 0.31
CCNK O75909 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
F13A1 P00488 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
SCHEMBL22987467 0.91 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBPPARP1
SCHEMBL22988133 0.91 ADORA3 (0.34) PARP1TRPC3TRPC7USP30GPR39
SCHEMBL22988150 0.90 USP30 (0.35) BRD4CREBBPPARP1TRPC3TRPC7
SCHEMBL22987609 0.90 TRPC3 (0.39) NR1H2NR1H3TRPC3TRPC7USP30
SCHEMBL22987625 0.89 BCL9 (0.37) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL22987607 0.89 TRPC3 (0.36) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL29450017 0.87 USP30 (0.34) PARP1USP30GPR39TNKSTNKS2
SCHEMBL22987658 0.86 NR1H2 (0.37) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL25118878 0.86 NR1H2 (0.37) NR1H2NR1H3PARP1TRPC3TRPC7
SCHEMBL22987752 0.85 NR1H2 (0.34) NR1H2NR1H3PARP1TRPC3TRPC7

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.