SCHEMBL2722164

SCHEMBL2722164

CN(C)CCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.82
▸ GAA P10253 4/20 0.76
▸ KDM4E B2RXH2 2/20 0.76
▸ RECQL P46063 1/20 0.76
▸ TSHR P16473 8/20 0.75
▸ CYP3A4 P08684 6/20 0.75
▸ CYP2C19 P33261 6/20 0.75
▸ CYP2C9 P11712 5/20 0.75
▸ CYP2D6 P10635 4/20 0.75
▸ ALDH1A1 P00352 8/20 0.74
▸ TDP1 Q9NUW8 3/20 0.74
▸ L3MBTL1 Q9Y468 2/20 0.74
▸ PKM P14618 1/20 0.74
▸ CYP1A2 P05177 2/20 0.72
▸ LMNA P02545 4/20 0.69
▸ MAPK10 P53779 3/20 0.69
▸ MAPK1 P28482 1/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ MEN1 O00255 2/20 0.66

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
SCHEMBL10289177 0.80 MAPT (0.62) POLBGAAKDM4ERECQLTSHR
SCHEMBL10289083 0.79 MAPT (0.68) POLBGAAKDM4ERECQLCYP3A4
SCHEMBL16844168 0.79 KMT2A (0.73) GAAKDM4ETSHRALDH1A1LMNA
SCHEMBL2723919 0.77 TP53 (0.73) GAAKDM4ETSHRALDH1A1LMNA
SCHEMBL3868831 0.77 GAA (0.91) POLBGAAKDM4ECYP3A4CYP2C19
SCHEMBL2722837 0.76 MAPT (0.79) POLBKDM4ERECQLTSHRCYP3A4
SCHEMBL10289179 0.73 KMT2A (0.74) GAAKDM4ETSHRALDH1A1TDP1
SCHEMBL2722586 0.73 KMT2A (0.65) GAAKDM4ETSHRALDH1A1TDP1
SCHEMBL2723282 0.72 MAPT (1.00) POLBGAAKDM4ERECQLTSHR
SCHEMBL2722489 0.72 MAPT (0.87) POLBGAAKDM4ERECQLTSHR

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 POLB 2874/4885GAA 631/4885KDM4E 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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