SCHEMBL15549239

SCHEMBL15549239

Nn1c(=S)[nH]c2ccc(F)cc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 14/20 1.00
▸ XDH P47989 7/20 0.67
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ FEN1 P39748 1/20 0.54
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PRNP P04156 1/20 0.50

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
SCHEMBL2732033 0.77 MPO (1.00) MPOXDHMEN1KMT2AFEN1
SCHEMBL2731084 0.76 ALDH1A1 (0.68) MPOXDHMEN1KMT2A
SCHEMBL23045531 0.76 ALDH1A1 (0.71) MPOXDHMEN1KMT2ACA12
SCHEMBL15215601 0.73 MPO (0.66) MPOXDHCA12CA1CA2
SCHEMBL26655711 0.73 MPO (0.57) MPOXDHMEN1KMT2AFEN1
SCHEMBL26655709 0.73 MPO (0.57) MPOXDHMEN1KMT2AFEN1
SCHEMBL29446368 0.73 MPO (0.57) MPOXDHMEN1KMT2AFEN1
SCHEMBL26655708 0.73 MPO (0.67) MPOXDHMEN1KMT2ACA12
SCHEMBL6214704 0.72 MPO (0.56) MPOXDHMEN1KMT2ACA12
SCHEMBL30103280 0.72 CA12 (0.57) MPOXDHMEN1KMT2AFEN1

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
US-20160243121-A1 Quinazoline Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2016-08-25 — — US claimed
US-20150110723-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-04-23 — — US claimed
WO-2013181135-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-12-05 — — WO claimed
US-20160243121-A1 Quinazoline Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2016-08-25 — — US disclosed
US-20160243121-A1 Quinazoline Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2016-08-25 — — US disclosed
US-20150110723-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-04-23 — — US disclosed
US-20150110723-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-04-23 — — 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 (2 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-20160243121-A1 Quinazoline Derivatives, Compositions, and Uses Related Thereto NOX3, NOX1, NOX5 MPO 6/4885XDH 10/4885MEN1 4758/4885
US-20150110723-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX3, NOX1, NOX5 MPO 6/4885XDH 10/4885MEN1 4758/4885

“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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