SCHEMBL16185163

SCHEMBL16185163

CNc1nc(-c2ccnnc2)nc2c(OC)cc(-c3cc(F)cc(F)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14474195 0.94 PSEN1 (0.41) S1PR1KITPSEN1PSEN2APH1B
SCHEMBL16185133 0.92 ABCG2 (0.40) S1PR1KITPSEN1PSEN2APH1B
SCHEMBL16185169 0.89 S1PR1 (0.43) S1PR1KITPSEN1PSEN2APH1B
SCHEMBL16185153 0.87 PSEN1 (0.40) S1PR1KITPSEN1PSEN2APH1B
SCHEMBL14474670 0.87 PSEN1 (0.42) S1PR1KITPSEN1PSEN2APH1B
SCHEMBL16183506 0.86 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL16185125 0.85 CYP1A2 (0.42) S1PR1PSEN1PSEN2APH1BNCSTN
SCHEMBL14474688 0.84 LMNA (0.39) S1PR1PSEN1PSEN2APH1BNCSTN
SCHEMBL14474194 0.83 KIT (0.39) KITCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16185143 0.82 S1PR1 (0.46) S1PR1KITPSEN1PSEN2APH1B

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 2 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

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 S1PR1 3969/4885KIT 3161/4885PSEN1 254/4885

“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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