SCHEMBL2730994

SCHEMBL2730994

CC(C)n1c(=S)[nH]c2cc(F)c(F)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.62
▸ ALDH1A1 P00352 6/20 0.60
▸ MPO P05164 6/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ HPGD P15428 1/20 0.45
▸ PGR P06401 1/20 0.43
▸ PDE7A Q13946 1/20 0.41
▸ PDE7B Q9NP56 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL15537894 0.79 ALDH1A1 (0.73) XDHALDH1A1MPOL3MBTL1MAPT
SCHEMBL2730470 0.77 XDH (1.00) XDHALDH1A1MPOL3MBTL1HPGD
SCHEMBL20079373 0.71 ALDH1A1 (0.44) XDHALDH1A1MPOL3MBTL1HPGD
SCHEMBL2730707 0.68 MPO (1.00) XDHALDH1A1MPOL3MBTL1KMT2A
SCHEMBL16844164 0.68 MPO (0.70) XDHALDH1A1MPOL3MBTL1HPGD
SCHEMBL2966714 0.67 PGR (0.66) PGR
SCHEMBL29446444 0.66 PLK1 (0.59) XDHALDH1A1MPOL3MBTL1KMT2A
SCHEMBL6401448 0.65 MPO (0.70) XDHALDH1A1MPOPDE7APDE7B
SCHEMBL6668697 0.65 CA9 (0.59) XDHALDH1A1MPOHPGDPGR
SCHEMBL20079368 0.65 ALDH1A1 (0.47) XDHALDH1A1L3MBTL1HPGDPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX4, NOX5, NQO2 XDH 11/4885ALDH1A1 458/4885MPO 10/4885
US-20150110723-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX3, NOX1, NOX5 XDH 10/4885ALDH1A1 659/4885MPO 6/4885

“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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