SCHEMBL2722679

SCHEMBL2722679

O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1nc(-c2cc(F)ccc2F)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ XBP1 P17861 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ UBE2N P61088 1/20 0.58
▸ USP2 O75604 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GAA P10253 1/20 0.52

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
SCHEMBL2722076 0.80 KMT2A (0.84) KMT2AMAPTKDM4ELMNATDP1
SCHEMBL2725485 0.79 MAPT (0.73) KMT2AMAPTKDM4ELMNATDP1
SCHEMBL2723282 0.74 MAPT (1.00) KMT2AMAPTKDM4ELMNATDP1
SCHEMBL26485952 0.74 CYP1A2 (0.66) KMT2ATDP1MAPK1USP2TSHR
SCHEMBL2722489 0.74 MAPT (0.87) KMT2AMAPTKDM4ELMNATDP1
SCHEMBL2725830 0.74 MAPT (1.00) KMT2AMAPTKDM4ELMNATDP1
SCHEMBL2722837 0.73 MAPT (0.79) KMT2AMAPTKDM4ELMNATDP1
SCHEMBL2724211 0.73 MAPT (0.83) KMT2AMAPTKDM4ELMNATDP1
SCHEMBL25482374 0.73 TDP1 (0.71) KMT2AMAPTLMNATDP1NPSR1
SCHEMBL10289182 0.73 MAPT (0.96) KMT2AMAPTKDM4ELMNATDP1

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 8 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
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 (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 KMT2A 1366/4885MAPT 1860/4885KDM4E 1311/4885

“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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