SCHEMBL31068652

SCHEMBL31068652

Cc1nc2ncn(C)c2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
DYRK1A Q13627 1/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL31257349 0.70 GRM5 (0.41) HRH4DYRK1AHPGDALDH1A1LMNA
SCHEMBL15509076 0.70 GRM5 (0.41) HRH4DYRK1AHPGDALDH1A1LMNA
SCHEMBL31221748 0.69 MET (0.46) HRH4DYRK1AALDH1A1
SCHEMBL1104630 0.69 MET (0.46) HRH4DYRK1AALDH1A1
SCHEMBL13137283 0.69 DYRK1A (0.33) DYRK1AALDH1A1
SCHEMBL8501962 0.69 HRH4 (0.31) HRH4DYRK1AALDH1A1
SCHEMBL19911443 0.68 CHRNB2 (0.45) DYRK1AHPGDALDH1A1LMNA
SCHEMBL4282443 0.67 KDM4E (0.32) HRH4DYRK1AALDH1A1
SCHEMBL10238677 0.67 PRPS1 (0.42) DYRK1AHPGDALDH1A1
SCHEMBL7916582 0.67 HRH4 (0.38) HRH4DYRK1AHPGDALDH1A1LMNA

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 2984/4885DYRK1A 3684/4885HPGD 997/4885

“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.