SCHEMBL31068638

SCHEMBL31068638

Cc1nc2ncn(C)c2cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
STAT3 P40763 2/20 0.55
ATP4A P20648 4/20 0.45
ATP4B P51164 4/20 0.45
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL31068643 0.75 NPC1 (0.47) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL34475367 0.71 RHEB (0.42) HTTSMN1; SMN2STAT3MAPTL3MBTL1
SCHEMBL8588718 0.71 HTT (1.00) HTTSMN1; SMN2STAT3ATP4AATP4B
SCHEMBL34475846 0.70 MAOB (0.43) HTTSMN1; SMN2STAT3MAPTL3MBTL1
SCHEMBL16491623 0.68 HTT (0.59) HTTSMN1; SMN2STAT3ATP4AATP4B
SCHEMBL2116065 0.67 HTT (0.58) HTTSMN1; SMN2STAT3ATP4AATP4B
SCHEMBL3947830 0.67 SMN1; SMN2 (0.58) HTTSMN1; SMN2STAT3ATP4AATP4B
SCHEMBL31068640 0.67 GABRP (0.44) HTTSMN1; SMN2STAT3MAPTL3MBTL1
SCHEMBL14487907 0.67 STAT3 (0.47) HTTSMN1; SMN2STAT3ATP4AATP4B
SCHEMBL16437312 0.67 DAPK1 (0.43) ATP4AATP4BL3MBTL1MEN1KMT2A

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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-01 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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 HTT 1560/4885SMN1; SMN2 4243/4885STAT3 3723/4885

“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.