SCHEMBL25544377

SCHEMBL25544377

COC(=O)c1ccc2nc(CCl)n(C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
ACACB O00763 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
IAPP P10997 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL30798199 0.83 TP53 (0.44) PTGER4KDM4EALDH1A1HTTMAPK1
SCHEMBL23980785 0.79 PTGER4 (0.36) PPARGPTGER4KDM4EALDH1A1ACACB
SCHEMBL29480797 0.79 GLP1R (0.42) KDM4EALDH1A1MAPK1RAB9ACYP1A2
SCHEMBL29480799 0.79 GLP1R (0.42) KDM4EALDH1A1MAPK1RAB9ACYP1A2
SCHEMBL29947228 0.79 PTGER4 (0.32) PPARGPTGER4KDM4EALDH1A1HTT
SCHEMBL20288189 0.79 GLP1R (0.42) KDM4EALDH1A1MAPK1RAB9ACYP1A2
SCHEMBL20280071 0.79 GLP1R (0.42) KDM4EALDH1A1MAPK1RAB9ACYP1A2
SCHEMBL25089637 0.78 HIF1A (0.41) PPARGKDM4EALDH1A1KMT2AMEN1
SCHEMBL31143242 0.78 MAPT (0.38) PPARGPTGER4KDM4EALDH1A1TP53
SCHEMBL31143304 0.78 MAPT (0.38) PPARGPTGER4KDM4EALDH1A1TP53

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-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-01 US disclosed
US-20230126875-A1 FUSED IMIDAZOLE DERIVATIVES, PREPARATION METHOD AND MEDICINAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US 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 (2 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-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR PPARG 70/4885PTGER4 329/4885KDM4E 3992/4885
US-20230126875-A1 FUSED IMIDAZOLE DERIVATIVES, PREPARATION METHOD AND MEDICINAL USE THEREOF GLP1R, GIPR, GPR119 PPARG 34/4885PTGER4 386/4885KDM4E 2355/4885

“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.