SCHEMBL14474690

SCHEMBL14474690

CCOc1cc(-c2ccc(F)cc2F)cc2c(NC)nc(-c3ncccn3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.38
▸ GRM5 P41594 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ KLKB1 P03952 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16185158 0.92 CHRNA7 (0.38) CHRNA7GRM5POLBKDM4EHPGD
SCHEMBL16185147 0.91 FFAR1 (0.43) CHRNA7GRM5KDM4ESMN1; SMN2LMNA
SCHEMBL16185127 0.90 KDM4E (0.37) CHRNA7GRM5POLBKDM4EHPGD
SCHEMBL14474683 0.90 CYP1A2 (0.41) KDM4EHPGDSMN1; SMN2HSD17B10LMNA
SCHEMBL14474192 0.89 CHRNA7 (0.43) CHRNA7GRM5POLBKDM4EHPGD
SCHEMBL14358596 0.88 CYP1A2 (0.43) CHRNA7GRM5POLBKDM4EHPGD
SCHEMBL16185150 0.87 GRM5 (0.40) CHRNA7GRM5KLKB1LMNAMAPT
SCHEMBL16185148 0.87 CHRNA7 (0.37) CHRNA7GRM5POLBKLKB1LMNA
SCHEMBL14474687 0.87 S1PR1 (0.40) CHRNA7GRM5KLKB1LMNAMAPT
SCHEMBL14474679 0.86 KLKB1 (0.37) CHRNA7GRM5KLKB1KDM4EHPGD

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 3 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
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 CHRNA7 349/4885GRM5 37/4885POLB 2309/4885

“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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