SCHEMBL22979971

SCHEMBL22979971

COc1ccc(NC(=O)O)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ALDH1A1 P00352 2/20 0.45
F10 P00742 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
AHR P35869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL11791935 0.88 GPR35 (0.55) RAB9ANPC1TP53HSD17B10CYP1A2
SCHEMBL404664 0.88 HPGD (0.47) RAB9ANPC1TP53HSD17B10CYP1A2
SCHEMBL22979033 0.88 NPC1 (0.47) RAB9ANPC1TP53HSD17B10CYP1A2
SCHEMBL10715095 0.84 NLRP3 (0.54) RAB9ANPC1TP53HSD17B10CYP1A2
SCHEMBL29648996 0.84 NLRP3 (0.54) RAB9ANPC1TP53HSD17B10CYP1A2
SCHEMBL22980063 0.80 ALDH1A1 (0.55) RAB9ANPC1CYP1A2ALDH1A1CYP2C9
SCHEMBL6117229 0.78 RAB9A (0.61) RAB9ANPC1TP53ALDH1A1F10
SCHEMBL17258667 0.78 LRRK2 (0.44) RAB9ANPC1TP53HSD17B10ALDH1A1
SCHEMBL20267068 0.78 ALDH1A1 (0.55) HSD17B10CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL17796966 0.77 POLB (0.62) RAB9ANPC1CYP1A2CYP1A1CYP1B1

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 3 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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP 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 RAB9A 902/4885NPC1 1806/4885TP53 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.