SCHEMBL22981097

SCHEMBL22981097

COc1ccc(-c2nc3c4cccc(Br)c4nc(N[C@H]4CCCCNC4=O)n3n2)c(OC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HPGDS O60760 3/20 0.34
ALDH1A1 P00352 1/20 0.33
SCN9A Q15858 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ZAP70 P43403 2/20 0.32
SYK P43405 2/20 0.32
SLC5A1 P13866 3/20 0.31
ADORA2A P29274 2/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL29648603 1.00 KDM4E (0.36) KDM4EHPGDSALDH1A1SCN9ANPC1
SCHEMBL22979251 1.00 KDM4E (0.36) KDM4EHPGDSALDH1A1SCN9ANPC1
SCHEMBL29648654 1.00 KDM4E (0.36) KDM4EHPGDSALDH1A1SCN9ANPC1
SCHEMBL22988389 0.91 KDM4E (0.36) KDM4EHPGDSALDH1A1NPC1RAB9A
SCHEMBL22980060 0.91 KDM4E (0.36) KDM4EHPGDSALDH1A1NPC1RAB9A
SCHEMBL29648670 0.91 KDM4E (0.36) KDM4EHPGDSALDH1A1NPC1RAB9A
SCHEMBL22980169 0.90 TACR1 (0.32) SCN9ANPC1RAB9ASLC5A1HCRTR1
SCHEMBL22978985 0.90 TACR1 (0.32) SCN9ANPC1RAB9ASLC5A1HCRTR1
SCHEMBL29648704 0.90 TACR1 (0.32) SCN9ANPC1RAB9ASLC5A1HCRTR1
SCHEMBL29648710 0.90 TACR1 (0.32) SCN9ANPC1RAB9ASLC5A1HCRTR1

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 5 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
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 1364/4885HPGDS 517/4885ALDH1A1 597/4885

“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.