SCHEMBL2731359

SCHEMBL2731359

COC(=O)c1ccc2c(=O)n(N)c(=S)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.70
▸ MEN1 O00255 4/20 0.70
▸ ALDH1A1 P00352 11/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ POLB P06746 1/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ PKM P14618 2/20 0.67
▸ HPGD P15428 4/20 0.59
▸ HTT P42858 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ MAPK1 P28482 1/20 0.56
▸ MPO P05164 1/20 0.56
▸ XDH P47989 1/20 0.56
▸ GLA P06280 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.54
▸ KIF11 P52732 1/20 0.53

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
SCHEMBL2730278 0.83 KDM4E (0.65) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL9630911 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL2730985 0.82 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL2117984 0.77 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL30183620 0.77 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL4725998 0.76 KIF11 (0.84) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL29708168 0.76 KIF11 (0.84) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL15215602 0.76 MPO (0.58) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL15613189 0.74 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2909578 0.74 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1KDM4EHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632466-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO Emory University (US) 2013-09-04 — — EP claimed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 — — US claimed
WO-2012058211-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2012-05-03 — — WO claimed
US-9868728-B2 Quinazoline derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2018-01-16 — — US disclosed
EP-2886120-A1 Quinazoline derivatives, compositions and uses related thereto Emory University (US) 2015-06-24 — — EP disclosed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 — — US disclosed
WO-2012058211-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2012-05-03 — — WO 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-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX4, NOX5, NQO2 KMT2A 1366/4885MEN1 4294/4885ALDH1A1 458/4885

“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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