SCHEMBL2730571

SCHEMBL2730571

Nn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.59
▸ MPO P05164 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ TSHR P16473 1/20 0.52
▸ PKM P14618 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GAA P10253 1/20 0.45

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
SCHEMBL2731131 0.91 XDH (0.64) XDHMPOHSD17B10CYP1A2CYP3A4
SCHEMBL15215601 0.74 MPO (0.66) XDHMPOHSD17B10MAPK1KDM4E
SCHEMBL2730975 0.71 MPO (1.00) XDHMPOHSD17B10MAPK1KMT2A
SCHEMBL2730470 0.70 XDH (1.00) XDHMPOHSD17B10CYP1A2CYP3A4
SCHEMBL15549239 0.69 MPO (1.00) XDHMPOKMT2AMEN1RXFP1
SCHEMBL15215602 0.69 MPO (0.58) XDHMPOKMT2AKDM4EALDH1A1
SCHEMBL21479878 0.68 MAPK10 (0.45) KDM4EALDH1A1HPGDGAA
SCHEMBL15918659 0.67 KDM4E (0.47) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2731084 0.67 ALDH1A1 (0.68) XDHMPOKMT2AKDM4EALDH1A1
SCHEMBL11863735 0.66 CDK5 (0.47) HSD17B10KDM4EALDH1A1HPGDGAA

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 XDH 11/4885MPO 10/4885HSD17B10 2477/4885

“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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