SCHEMBL22987632

SCHEMBL22987632

Cc1nn(C)cc1-c1nc2c3cccc(C(F)(F)F)c3nc(Cl)n2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.40
ADORA2A P29274 5/20 0.40
ADORA1 P30542 4/20 0.40
HSD11B1 P28845 7/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNK O75909 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32

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
SCHEMBL30393264 0.86 ADORA3 (0.43) ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL22987816 0.86 ADORA3 (0.43) ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL22987615 0.86 ADORA3 (0.36) ADORA3ADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL22987691 0.86 ALDH1A1 (0.35) ADORA3ADORA2AADORA1HSD11B1ALDH1A1
SCHEMBL22988254 0.84 ADORA3 (0.42) ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL22987756 0.82 TRPA1 (0.36) ADORA3ADORA2AADORA1HSD11B1ALDH1A1
SCHEMBL22988197 0.82 ALDH1A1 (0.34) ADORA3ADORA2AADORA1HSD11B1ALDH1A1
SCHEMBL22988222 0.81 ALDH1A1 (0.35) ADORA3ADORA2AADORA1HSD11B1ALDH1A1
SCHEMBL22987757 0.81 ADORA2A (0.38) ADORA3ADORA2AADORA1HSD11B1ALDH1A1
SCHEMBL22978982 0.80 ADORA3 (0.38) ADORA3ADORA2AADORA1BRD4NR1H2

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 34/4885ADORA2A 103/4885ADORA1 21/4885

“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.