SCHEMBL22987938

SCHEMBL22987938

O=C1NCCN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc2ccccc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
GAA P10253 3/20 0.39
ALPL P05186 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HCRTR1 O43613 3/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
CETP P11597 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL22987803 0.92 TRPC3 (0.41) ADORA3MAPTTP53GAAALPL
SCHEMBL30393771 0.92 TRPC3 (0.41) ADORA3MAPTTP53GAAALPL
SCHEMBL22987937 0.92 TRPC3 (0.41) ADORA3MAPTTP53GAAALPL
SCHEMBL22987539 0.90 MAPT (0.40) ADORA3MAPTTP53GAAALPL
SCHEMBL22987618 0.90 ADORA3 (0.40) ADORA3MAPTADORA2AADORA1USP30
SCHEMBL22979870 0.90 MAPT (0.48) ADORA3MAPTTP53GAAALPL
SCHEMBL22987640 0.90 MAPT (0.40) MAPTTP53GAAALPLSMN1; SMN2
SCHEMBL29646384 0.90 MAPT (0.48) ADORA3MAPTTP53GAAALPL
SCHEMBL22987879 0.89 MAPT (0.40) MAPTTP53GAAALPLSMN1; SMN2
SCHEMBL22988053 0.89 LCK (0.36) MAPTTP53GAAALPLSMN1; SMN2

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 ADORA3 34/4885MAPT 4047/4885TP53 242/4885

“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.