SCHEMBL21527484

SCHEMBL21527484

Cc1nc2c([nH]1)C(=O)N(Cc1ccccn1)C(O)N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ BRD4 O60885 3/20 0.37
▸ NOX4 Q9NPH5 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CNOT7 Q9UIV1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ DDB1 Q16531 1/20 0.34

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
SCHEMBL21527477 0.67 ALDH1A1 (0.34) KMT2AALDH1A1MEN1PKMMAPK1
SCHEMBL29636255 0.63 ALDH1A1 (0.48) KMT2AALDH1A1MEN1PKMLMNA
SCHEMBL17962585 0.63 ALDH1A1 (0.48) KMT2AALDH1A1MEN1PKMLMNA
SCHEMBL21609700 0.62 MAPT (0.40) GRIN1GRIN2B
SCHEMBL17609787 0.62 CYP1A2 (0.50) KMT2AALDH1A1MEN1PKMNOX4
SCHEMBL23846718 0.60 ALDH1A1 (0.46) KMT2AALDH1A1MEN1PKMMAPK1
SCHEMBL10915999 0.59 PNP (0.43) KMT2AALDH1A1MEN1PKMTNKS
SCHEMBL14123133 0.58 GRIN1 (0.53) KMT2AALDH1A1MEN1PKMTLR7
SCHEMBL2959641 0.57 ALDH1A1 (1.00) KMT2AALDH1A1MEN1PKMBRD4
SCHEMBL30711693 0.57 ALDH1A1 (1.00) KMT2AALDH1A1MEN1PKMBRD4

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-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 — — 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-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 KMT2A 4009/4885ALDH1A1 706/4885MEN1 4518/4885

“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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