SCHEMBL2731374

SCHEMBL2731374

CCN(CC)CCn1c(=S)[nH]c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 1.00
▸ HAVCR2 Q8TDQ0 1/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ CRHBP P24387 1/20 0.70
▸ CRHR2 Q13324 1/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ TSHR P16473 2/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ XDH P47989 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.66
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60

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
SCHEMBL2731765 0.91 MPO (0.83) MPOHAVCR2SMN1; SMN2CRHBPCRHR2
SCHEMBL2731155 0.86 MPO (1.00) MPOHAVCR2SMN1; SMN2CRHBPCRHR2
SCHEMBL2731138 0.82 ALDH1A1 (1.00) MPOHAVCR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL12713432 0.82 MPO (0.73) MPOHAVCR2SMN1; SMN2CRHBPCRHR2
SCHEMBL2731546 0.81 MPO (1.00) MPOHAVCR2CRHBPCRHR2ALDH1A1
SCHEMBL6299962 0.81 CYP1A2 (0.71) MPOHAVCR2SMN1; SMN2CRHBPCRHR2
SCHEMBL2723795 0.80 MPO (0.92) MPOHAVCR2SMN1; SMN2CRHBPCRHR2
SCHEMBL2730381 0.79 MPO (0.90) MPOHAVCR2SMN1; SMN2CRHBPCRHR2
SCHEMBL10289181 0.77 MPO (0.63) MPOHAVCR2SMN1; SMN2CRHBPCRHR2
SCHEMBL29446470 0.76 NPC1 (1.00) MPOHAVCR2SMN1; SMN2CRHBPCRHR2

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 4569/4885SMN1; 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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