SCHEMBL22979970

SCHEMBL22979970

N#Cc1cccc2c1nc(Cl)n1nc(-c3cnn(C(F)F)c3)nc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
RET P07949 1/20 0.30
PDE10A Q9Y233 1/20 0.30
SCN9A Q15858 1/20 0.30
AKT1 P31749 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL29646457 1.00 PIK3CD (0.33) PIK3CDJAK2TYK2RETPDE10A
SCHEMBL22987742 0.90 JAK2 (0.37) JAK2TYK2RETPDE10ASCN9A
SCHEMBL22988464 0.88 ADORA1 (0.37) PIK3CDADORA3ADORA2AADORA1
SCHEMBL22987741 0.85 PIK3CD (0.41) PIK3CDADORA3ADORA2AADORA1
SCHEMBL22987644 0.85 ENPP3 (0.32) ADORA3ADORA2AADORA1
SCHEMBL22988248 0.83 HSP90AA1 (0.35) ADORA3ADORA2AADORA1
SCHEMBL22988110 0.81 KDM5A (0.36) PIK3CDAKT1IRAK4
SCHEMBL25118697 0.80 KDM5A (0.38) PIK3CDJAK2TYK2AKT1
SCHEMBL22979629 0.79 PIK3CD (0.37) PIK3CDPDE10AIRAK4ADORA3ADORA2A
SCHEMBL22979028 0.78 GABRP (0.41) PIK3CDJAK2TYK2

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 5 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
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
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 PIK3CD 2082/4885JAK2 94/4885TYK2 227/4885

“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.