SCHEMBL22987573

SCHEMBL22987573

N[C@@H]1CN(C(=O)OCc2ccccc2)CCNC1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GLA P06280 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRIN2B Q13224 5/20 0.45
HTR2C P28335 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
GAA P10253 1/20 0.43
USP30 Q70CQ3 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1197853 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AGLA
Hydrochloric Acid SCHEMBL28730339 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AGLA
SCHEMBL15414033 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9AGLA
SCHEMBL4701054 0.81 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AGLA
SCHEMBL7329154 0.81 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AGLA
SCHEMBL16382728 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9AKMT2A
SCHEMBL28084325 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9AGLA
SCHEMBL7320268 0.81 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AGLA
SCHEMBL7433956 0.81 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AGLA
SCHEMBL7356715 0.81 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AGLA

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 4 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
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2022029063-A1 PYRIDO[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-10 WO 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 SMN1; SMN2 4234/4885CYP2C19 269/4885NPC1 1806/4885

“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.