SCHEMBL25538982

SCHEMBL25538982

Cc1cnc(CSc2nc3ccccc3s2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2D6 P10635 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
HIF1A Q16665 1/20 0.58
MAPT P10636 8/20 0.58
ALDH1A1 P00352 8/20 0.58
HSD17B10 Q99714 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
LMNA P02545 7/20 0.55
HTT P42858 3/20 0.55
TP53 P04637 2/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL21827124 0.86 MAPK1 (0.67) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL20469444 0.83 ELANE (0.59) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL21827055 0.81 MEN1 (0.55) MAPK1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL9357216 0.79 RAB9A (0.65) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL21767165 0.79 CYP1A2 (0.46) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL141138 0.78 ALDH1A1 (0.70) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL9357732 0.77 RAB9A (0.63) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL3077568 0.75 CYP1A2 (0.69) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL21886075 0.75 LMNA (0.49) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL774785 0.75 CYP1A2 (0.73) MAPK1CYP1A2CYP2D6L3MBTL1CYP3A4

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 MAPK1 1659/4885CYP1A2 2827/4885CYP2D6 2016/4885

“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.