SCHEMBL22988090

SCHEMBL22988090

CCn1cc(-c2nc3c4cccc(OC)c4nc(Cl)n3n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.45
ADORA2A P29274 9/20 0.44
ADORA1 P30542 4/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.38
ADORA3 P0DMS8 3/20 0.38
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
ADORA2B P29275 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL22988102 0.87 HSP90AB1 (0.45) HSP90AB1ADORA2AADORA1KDM4EADORA3
SCHEMBL30393330 0.87 HSP90AB1 (0.45) HSP90AB1ADORA2AADORA1KDM4EADORA3
SCHEMBL22987792 0.86 HSP90AB1 (0.43) HSP90AB1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL22987707 0.85 ADORA3 (0.39) HSP90AB1ADORA2AADORA1KDM4EADORA3
SCHEMBL22987770 0.85 ADORA3 (0.39) HSP90AB1ADORA2AADORA1KCNH2KDM4E
SCHEMBL22987611 0.84 ADORA3 (0.38) HSP90AB1ADORA2AADORA1KCNH2KDM4E
SCHEMBL22987764 0.82 ADORA2A (0.41) HSP90AB1ADORA2AADORA2B
SCHEMBL22987794 0.82 KDM4E (0.43) HSP90AB1ADORA2AADORA1KCNH2KDM4E
SCHEMBL22979918 0.81 ADORA3 (0.48) ADORA2AADORA1KDM4EADORA3MAPT
SCHEMBL22988018 0.81 ADORA2A (0.42) HSP90AB1ADORA2AADORA2B

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 HSP90AB1 2893/4885ADORA2A 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.