SCHEMBL2731765

SCHEMBL2731765

CCCN(CCC)CCn1c(=S)[nH]c2ccccc2c1=O

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.83
▸ HAVCR2 Q8TDQ0 1/20 0.74
▸ CRHBP P24387 1/20 0.69
▸ CRHR2 Q13324 1/20 0.69
▸ ALDH1A1 P00352 4/20 0.67
▸ XDH P47989 2/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ KMT2A Q03164 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.57

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
SCHEMBL2731374 0.91 MPO (1.00) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL2731155 0.85 MPO (1.00) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL12713432 0.83 MPO (0.73) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL2731546 0.80 MPO (1.00) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL6299962 0.80 CYP1A2 (0.71) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL2723795 0.79 MPO (0.92) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL10289181 0.79 MPO (0.63) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL2730381 0.78 MPO (0.90) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL7648079 0.75 ALDH1A1 (0.74) MPOHAVCR2ALDH1A1XDHSMN1; SMN2
SCHEMBL29446470 0.75 NPC1 (1.00) MPOHAVCR2CRHBPCRHR2ALDH1A1

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
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 MPO 10/4885HAVCR2 4569/4885CRHBP 4819/4885

“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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