SCHEMBL22988022

SCHEMBL22988022

O=C1NCCCC[C@@H]1Nc1nc2ccccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
MAPT P10636 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL22979590 1.00 MKNK1 (0.36) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL29648888 1.00 MKNK1 (0.36) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL29648620 1.00 MKNK1 (0.36) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22979138 0.98 MAPT (0.36) MKNK1MKNK2MAPTFPR2SCN9A
SCHEMBL29645587 0.98 MAPT (0.36) MKNK1MKNK2MAPTFPR2SCN9A
SCHEMBL29648688 0.95 MKNK1 (0.35) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22979155 0.95 MKNK1 (0.35) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL29648646 0.95 MKNK1 (0.35) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22979255 0.95 MKNK1 (0.35) MKNK1MKNK2MAPTADORA2AADORA1
SCHEMBL22980806 0.95 MAPT (0.37) MAPTFPR2SCN9AADORA3MGLL

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 MKNK1 2220/4885MKNK2 2103/4885MAPT 4047/4885

“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.