SCHEMBL22987628

SCHEMBL22987628

O=C1NCCN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc2c(Cl)cccc2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 2/20 0.38
USP30 Q70CQ3 1/20 0.36
TRPC3 Q13507 2/20 0.36
TRPC7 Q9HCX4 2/20 0.36
MCHR1 Q99705 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ENPP2 Q13822 1/20 0.34
OPRK1 P41145 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
SCHEMBL22987753 0.94 TRPC3 (0.39) MAPTLMNATP53USP30TRPC3
SCHEMBL22988174 0.94 TRPC3 (0.39) MAPTLMNATP53USP30TRPC3
SCHEMBL22987623 0.93 RXFP1 (0.42) MAPTLMNARXFP1TP53USP30
SCHEMBL22987919 0.92 MAPT (0.39) MAPTLMNARXFP1TP53USP30
SCHEMBL22987465 0.92 TP53 (0.39) MAPTLMNARXFP1TP53USP30
SCHEMBL22988052 0.91 MAPT (0.42) MAPTLMNARXFP1TP53USP30
SCHEMBL22987624 0.90 USP30 (0.36) MAPTLMNARXFP1TP53USP30
SCHEMBL22987627 0.89 ADORA3 (0.40) MAPTTP53TRPC3TRPC7
SCHEMBL22987521 0.88 ADORA3 (0.35) USP30TRPC3TRPC7ENPP2
SCHEMBL29646426 0.88 ADORA3 (0.35) USP30TRPC3TRPC7ENPP2

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 MAPT 4047/4885LMNA 2937/4885RXFP1 154/4885

“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.