SCHEMBL16185159

SCHEMBL16185159

CCOc1cc(-c2cc(F)ccc2F)cc2c(NC)nc(-c3ccnnc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ CHRNA7 P36544 4/20 0.38
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ MAP3K11 Q16584 2/20 0.33
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PDE4D Q08499 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
SCHEMBL14474687 0.93 S1PR1 (0.40) S1PR1S1PR3CHRNA7PSEN1PSEN2
SCHEMBL14475261 0.90 S1PR1 (0.41) S1PR1S1PR3CHRNA7GRM5LMNA
SCHEMBL16185153 0.90 PSEN1 (0.40) S1PR1PSEN1PSEN2APH1BNCSTN
SCHEMBL16185143 0.89 S1PR1 (0.46) S1PR1S1PR3CHRNA7PSEN1PSEN2
SCHEMBL16184847 0.88 CYP1A2 (0.43) S1PR1CHRNA7GRM5POLBMAPT
SCHEMBL16185160 0.88 GRM5 (0.40) CHRNA7GRM5MAP3K11POLBLMNA
SCHEMBL16185169 0.88 S1PR1 (0.43) S1PR1S1PR3CHRNA7PSEN1PSEN2
SCHEMBL16185158 0.87 CHRNA7 (0.38) CHRNA7GRM5MAP3K11POLBLMNA
SCHEMBL14474678 0.86 S1PR1 (0.40) S1PR1S1PR3CHRNA7GRM5LMNA
SCHEMBL16185139 0.86 GRM5 (0.47) S1PR1S1PR3CHRNA7GRM5PIK3C3

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 3969/4885S1PR3 4253/4885CHRNA7 349/4885

“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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