SCHEMBL22987706

SCHEMBL22987706

O=C1NCCN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc2ccccc2c2nc(-c3ccc(OC4CC4)cc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
ALPL P05186 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
MAPT P10636 4/20 0.39
THRB P10828 1/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HCRTR1 O43613 3/20 0.37
LCK P06239 1/20 0.37
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
GRIN2B Q13224 1/20 0.37
NAAA Q02083 1/20 0.36
TNKS O95271 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
SCHEMBL22979870 0.92 MAPT (0.48) GAAALPLKMT2ALMNAALPI
SCHEMBL29646384 0.92 MAPT (0.48) GAAALPLKMT2ALMNAALPI
SCHEMBL22987447 0.90 MAPT (0.43) GAAALPLKMT2ALMNAALPI
SCHEMBL22987937 0.90 TRPC3 (0.41) GAAALPLKMT2ALMNAALPI
SCHEMBL30393771 0.90 TRPC3 (0.41) GAAALPLKMT2ALMNAALPI
SCHEMBL22987803 0.90 TRPC3 (0.41) GAAALPLKMT2ALMNAALPI
SCHEMBL22987640 0.89 MAPT (0.40) GAAALPLKMT2ALMNAALPI
SCHEMBL22987879 0.88 MAPT (0.40) GAAALPLKMT2ALMNAALPI
SCHEMBL22987938 0.88 ADORA3 (0.41) GAAALPLKMT2ALMNAALPI
SCHEMBL29648930 0.88 MAPT (0.45) GAAALPLKMT2ALMNAALPI

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 GAA 3740/4885ALPL 4740/4885KMT2A 919/4885

“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.