SCHEMBL2730278

SCHEMBL2730278

Nn1c(=S)[nH]c2cc(C(=O)O)ccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.65
▸ KMT2A Q03164 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ MPO P05164 3/20 0.54
▸ XDH P47989 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ PARP1 P09874 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45

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
SCHEMBL2731359 0.83 KMT2A (0.70) KDM4EKMT2ASMN1; SMN2MPOXDH
SCHEMBL9630208 0.80 ALDH1A1 (0.62) KDM4EKMT2ASMN1; SMN2MPOALDH1A1
SCHEMBL15215602 0.77 MPO (0.58) KDM4EKMT2AMPOXDHALDH1A1
SCHEMBL22281511 0.76 KMT2A (0.67) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2915423 0.76 KDM4E (0.71) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2915065 0.74 KDM4E (0.65) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2911602 0.73 KDM4E (0.70) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL23830045 0.73 PARP1 (0.68) KDM4EKMT2AALDH1A1PARP1HSD17B10
SCHEMBL29620678 0.73 PARP1 (0.68) KDM4EKMT2AALDH1A1PARP1HSD17B10
SCHEMBL4252129 0.73 KDM4E (0.64) KDM4EKMT2ASMN1; SMN2ALDH1A1PARP1

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 5 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
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 — — 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-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX4, NOX5, NQO2 KDM4E 1311/4885KMT2A 1366/4885SMN1; SMN2 4538/4885

“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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