SCHEMBL14359076

SCHEMBL14359076

O=C1CCCN1c1nc(-c2cccnc2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PIM1 P11309 2/20 0.44
▸ GBA1 P04062 7/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE5A O76074 2/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL14727603 0.88 LMNA (0.61) ALDH1A1MAPTLMNAUSP2TSHR
SCHEMBL16183750 0.88 ALDH1A1 (0.58) ALDH1A1MAPTLMNAUSP2TSHR
SCHEMBL14727609 0.87 LMNA (0.63) ALDH1A1MAPTLMNAUSP2TSHR
SCHEMBL16184766 0.83 MAPT (0.43) ALOX5APALDH1A1MAPTLMNAUSP2
SCHEMBL14727612 0.83 ALDH1A1 (0.63) ALDH1A1MAPTLMNAUSP2TSHR
SCHEMBL14474977 0.82 MAPT (0.53) ALOX5APALDH1A1MAPTLMNAUSP2
SCHEMBL14475603 0.82 CYP11B2 (0.43) ALDH1A1MAPTLMNAUSP2TSHR
SCHEMBL16183754 0.81 ALDH1A1 (0.47) ALDH1A1MAPTLMNAUSP2TSHR
SCHEMBL16184049 0.81 ALDH1A1 (0.57) ALDH1A1MAPTLMNAUSP2TSHR
SCHEMBL16183751 0.81 TSHR (0.47) ALDH1A1MAPTLMNAUSP2TSHR

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
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
EP-2726485-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2014-05-07 — — EP disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ALOX5AP 2918/4885ALDH1A1 1687/4885MAPT 509/4885

“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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