SCHEMBL22987465

SCHEMBL22987465

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.38
TRPC3 Q13507 2/20 0.38
TRPC7 Q9HCX4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
USP30 Q70CQ3 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.34
THRB P10828 1/20 0.34
CSNK1D P48730 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
SLC5A1 P13866 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
SCHEMBL22987671 0.94 TRPC3 (0.41) TP53MAPTLMNATRPC3TRPC7
SCHEMBL22987623 0.93 RXFP1 (0.42) TP53MAPTLMNATRPC3TRPC7
SCHEMBL22987919 0.92 MAPT (0.39) TP53MAPTLMNATRPC3TRPC7
SCHEMBL22987628 0.92 MAPT (0.39) TP53MAPTLMNATRPC3TRPC7
SCHEMBL30393336 0.91 TRPC3 (0.41) MAPTTRPC3TRPC7USP30NR1H2
SCHEMBL22987992 0.91 TRPC3 (0.41) MAPTTRPC3TRPC7USP30NR1H2
SCHEMBL22988052 0.91 MAPT (0.42) TP53MAPTLMNATRPC3TRPC7
SCHEMBL22987607 0.90 TRPC3 (0.36) TP53MAPTLMNATRPC3TRPC7
SCHEMBL22987656 0.90 ADORA3 (0.40) TP53MAPTTRPC3TRPC7THRB
SCHEMBL22987467 0.90 NR1H2 (0.35) TRPC3TRPC7USP30NR1H2NR1H3

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 TP53 242/4885MAPT 4047/4885LMNA 2937/4885

“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.