Sugi Predict

Sugi Predict / Compounds / SCHEMBL22979859

SCHEMBL22979859

SCHEMBL22979859

O=C1NCCCC[C@H]1Nc1nc2cccc(C(F)(F)F)c2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.36
▸ MKNK2 Q9HBH9 2/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ MAT2A P31153 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ ALPI P09923 1/20 0.34
▸ TACR2 P21452 2/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ PLAT P00750 2/20 0.34
▸ KCNT1 Q5JUK3 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL29648627 1.00 KDM4E (0.38) KDM4EADORA2AADORA1MKNK1MKNK2
SCHEMBL22980234 0.93 ADORA1 (0.40) KDM4EADORA2AADORA1MKNK1MKNK2
SCHEMBL29648555 0.93 ADORA1 (0.40) KDM4EADORA2AADORA1MKNK1MKNK2
SCHEMBL22988384 0.89 PLAT (0.34) HDAC1HDAC8HDAC6MAT2AALPL
SCHEMBL29645847 0.89 PLAT (0.34) HDAC1HDAC8HDAC6MAT2AALPL
SCHEMBL22979344 0.89 KDM4E (0.39) KDM4EADORA2AADORA1MKNK1MKNK2
SCHEMBL31149867 0.89 KDM4E (0.39) KDM4EADORA2AADORA1MKNK1MKNK2
SCHEMBL22979915 0.89 KDM4E (0.39) KDM4EADORA2AADORA1MKNK1MKNK2
SCHEMBL22979322 0.89 KDM4E (0.39) KDM4EADORA2AADORA1MKNK1MKNK2
SCHEMBL29648549 0.89 KDM4E (0.39) KDM4EADORA2AADORA1MKNK1MKNK2

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 6 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 claimed
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
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 KDM4E 1364/4885ADORA2A 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.