SCHEMBL31068648

SCHEMBL31068648

Cc1c(Br)cnc2ncn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ GDA Q9Y2T3 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.31
▸ NR2E1 Q9Y466 1/20 0.31

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
SCHEMBL27404283 0.80 CCR1 (0.34) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL23089477 0.71 KDM2B (0.33) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL30324540 0.71 KDM2B (0.33) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL28897496 0.69 DPP4 (0.41) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL30206029 0.69 IKBKB (0.33) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL7040284 0.68 ADORA2A (0.40) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL29175540 0.68 L3MBTL1 (0.32) HRH4HRH3
SCHEMBL30799631 0.68 L3MBTL1 (0.32) HRH4HRH3
SCHEMBL26640416 0.67 DGAT1 (0.41) HRH4HRH3
SCHEMBL24393386 0.65 ADORA2A (0.41) GDAPIK3CDPOLBADORA3CNR1

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 HRH4 2984/4885HRH3 3593/4885GDA 913/4885

“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.

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