SCHEMBL25458571

SCHEMBL25458571

Cc1ccc(-c2cc(N3CC[C@H](O)C3)nc(C#N)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
KCNH2 Q12809 3/20 0.41
AR P10275 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSS P25774 2/20 0.38

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
SCHEMBL28894758 0.88 AR (0.44) GPR119KCNH2ARHRH4HRH3
SCHEMBL30085788 0.88 AR (0.44) GPR119KCNH2ARHRH4HRH3
SCHEMBL28894756 0.88 AR (0.44) GPR119KCNH2ARHRH4HRH3
SCHEMBL30085868 0.85 CTSK (0.48) KCNH2CTSSCTSK
SCHEMBL28895224 0.85 CTSK (0.48) KCNH2CTSSCTSK
SCHEMBL28895222 0.85 CTSK (0.48) KCNH2CTSSCTSK
SCHEMBL25458420 0.82 KDM4E (0.47) HRH4KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL25458574 0.77 SYK (0.38) KDM4EALDH1A1KMT2AHSD17B10MEN1
SCHEMBL25458596 0.76 NPC1 (0.38) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL25458569 0.76 CHEK1 (0.40) KDM4EALDH1A1HSD17B10PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 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 (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-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 GPR119 311/4885KCNH2 4670/4885AR 125/4885

“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.