SCHEMBL22979137

SCHEMBL22979137

CCn1cc(-c2nc3c4cccc(Cl)c4nc(N[C@@H]4CCCCNC4=O)n3n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.35
ADORA2A P29274 6/20 0.34
ADORA1 P30542 6/20 0.34
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TNF P01375 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
LITAF Q99732 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
ADORA3 P0DMS8 5/20 0.32
ADORA2B P29275 4/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL29645678 1.00 PIM1 (0.35) PIM1ADORA2AADORA1PIM3PIM2
SCHEMBL29648877 0.91 PIM1 (0.35) PIM1ADORA2AADORA1PIM3PIM2
SCHEMBL22978999 0.91 PIM1 (0.35) PIM1ADORA2AADORA1PIM3PIM2
SCHEMBL22988433 0.91 PIM1 (0.35) PIM1ADORA2AADORA1PIM3PIM2
SCHEMBL31149998 0.91 PIM1 (0.35) PIM1ADORA2AADORA1PIM3PIM2
SCHEMBL29645871 0.91 ADORA2A (0.37) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL22980138 0.91 ADORA2A (0.37) ADORA2AADORA1MKNK1MKNK2ADORA3
SCHEMBL22980792 0.90 ADORA2A (0.39) ADORA2AADORA1TNFLITAFHSP90AB1
SCHEMBL22979685 0.90 PIM1 (0.34) PIM1ADORA2AADORA1PIM3PIM2
SCHEMBL22979003 0.89 PIM1 (0.34) PIM1ADORA2AADORA1PIM3PIM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO claimed
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 PIM1 3095/4885ADORA2A 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.