SCHEMBL2723919

SCHEMBL2723919

CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.73
▸ KMT2A Q03164 4/20 0.72
▸ MEN1 O00255 3/20 0.72
▸ NPSR1 Q6W5P4 2/20 0.71
▸ HTT P42858 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ USP2 O75604 4/20 0.70
▸ LMNA P02545 3/20 0.70
▸ TSHR P16473 2/20 0.70
▸ ACKR3 P25106 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ GAA P10253 1/20 0.65
▸ MAPT P10636 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ ALOX15 P16050 1/20 0.62

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
SCHEMBL16844168 0.91 KMT2A (0.73) TP53KMT2AMEN1NPSR1HTT
SCHEMBL10289177 0.81 MAPT (0.62) KMT2AMEN1NPSR1HTTLMNA
SCHEMBL10289083 0.81 MAPT (0.68) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL2722837 0.81 MAPT (0.79) KMT2AMEN1NPSR1HTTSMN1; SMN2
SCHEMBL25482008 0.78 L3MBTL1 (0.78) KMT2AMEN1NPSR1USP2LMNA
SCHEMBL25482034 0.78 ALDH1A1 (0.82) KMT2AMEN1NPSR1USP2LMNA
SCHEMBL25481989 0.77 ALDH1A1 (0.78) TP53KMT2AMEN1NPSR1USP2
SCHEMBL2722164 0.77 POLB (0.82) KMT2AMEN1NPSR1HTTUSP2
SCHEMBL2723282 0.77 MAPT (1.00) TP53KMT2AMEN1NPSR1HTT
SCHEMBL10289179 0.76 KMT2A (0.74) TP53KMT2AMEN1NPSR1HTT

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 6 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
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 TP53 3531/4885KMT2A 1366/4885MEN1 4294/4885

“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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