SCHEMBL22988293

SCHEMBL22988293

O=C1NCCNC[C@@H]1Nc1nc2c(Br)cccc2c2nc(-c3cnn(C4CC4)c3)nn12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP3A7 P24462 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDK4 Q16654 2/20 0.33
CYP3A43 Q9HB55 2/20 0.33
MET P08581 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
ALK Q9UM73 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
MAP4K3 Q8IVH8 1/20 0.30
PIM1 P11309 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
SCHEMBL22988292 1.00 CYP1A2 (0.33) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22979075 0.91 PAK1 (0.34) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL29646077 0.91 PAK1 (0.34) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22987861 0.90 ADORA3 (0.34) PIM1
SCHEMBL22988299 0.90 ADORA3 (0.34) PIM1
SCHEMBL22979833 0.89 MAP4K3 (0.32) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22979180 0.89 MAP4K3 (0.32) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL29645628 0.89 MAP4K3 (0.32) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22988279 0.89 PAK1 (0.35) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL29645963 0.89 PAK1 (0.35) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19

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 CYP1A2 74/4885CYP3A4 374/4885CYP3A5 106/4885

“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.