SCHEMBL22988018

SCHEMBL22988018

COc1cccc2c1nc(Cl)n1nc(-c3cnn(C4CCC4)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.42
HSP90AB1 P08238 1/20 0.38
ADORA2B P29275 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL22987764 0.96 ADORA2A (0.41) ADORA2AHSP90AB1ADORA2BFGFR1FGFR2
SCHEMBL22988111 0.87 CLK2 (0.36) ADORA2AHSP90AB1
SCHEMBL22988153 0.86 IRAK4 (0.36)
SCHEMBL22987760 0.85 CLK2 (0.34) ADORA2A
SCHEMBL22987792 0.85 HSP90AB1 (0.43) ADORA2AHSP90AB1ADORA2BFGFR1
SCHEMBL22988265 0.83 CHRNB2 (0.37) ADORA2AHSP90AB1
SCHEMBL30393332 0.83 CHRNB2 (0.37) ADORA2AHSP90AB1
SCHEMBL25118697 0.83 KDM5A (0.38)
SCHEMBL22988090 0.81 HSP90AB1 (0.45) ADORA2AHSP90AB1ADORA2B
SCHEMBL22987664 0.80 KDM4E (0.45) FGFR1FGFR2FGFR3

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 ADORA2A 103/4885HSP90AB1 2893/4885ADORA2B 86/4885

“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.