SCHEMBL24296015

SCHEMBL24296015

N#Cc1ccc(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AR P10275 3/20 0.44
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
PANK3 Q9H999 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
PARP1 P09874 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
CYP11B2 P19099 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAP3K12 Q12852 1/20 0.37
USP14 P54578 1/20 0.37

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
SCHEMBL22570975 1.00 RET (0.47) RETKDM4EALDH1A1L3MBTL1AR
SCHEMBL9923396 0.85 KDM4E (0.49) RETKDM4EALDH1A1L3MBTL1CHRM2
SCHEMBL1021345 0.85 RET (0.47) RETKDM4EALDH1A1L3MBTL1CHRM2
SCHEMBL26301186 0.83 KDM4E (0.53) KDM4EALDH1A1L3MBTL1CHRM2CHRM4
SCHEMBL9920486 0.82 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1CHRM2
SCHEMBL9920174 0.82 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1CHRM2
SCHEMBL27424678 0.81 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1CHRM2
SCHEMBL2177892 0.81 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1CHRM2
SCHEMBL31464951 0.81 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1CHRM2
SCHEMBL1023931 0.80 HSP90AA1 (0.45) RETKDM4EALDH1A1L3MBTL1CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357244-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-11-09 US disclosed
US-20230357244-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-11-09 US disclosed
WO-2022068815-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2022-04-07 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-20230357244-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF FXR1, NR1H4, FXR2 RET 1087/4885KDM4E 4558/4885ALDH1A1 2161/4885

“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.