SCHEMBL16185169

SCHEMBL16185169

CCOc1cc(-c2cc(F)cc(F)c2)cc2c(NC)nc(-c3ccnnc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ CHRNA7 P36544 3/20 0.37
▸ GRM5 P41594 2/20 0.37
▸ KIT P10721 1/20 0.34
▸ LATS1 O95835 2/20 0.33
▸ LATS2 Q9NRM7 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ EGFR P00533 3/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL16185143 0.94 S1PR1 (0.46) S1PR1S1PR3CHRNA7GRM5KIT
SCHEMBL16185139 0.92 GRM5 (0.47) S1PR1S1PR3CHRNA7GRM5KIT
SCHEMBL16185163 0.89 S1PR1 (0.38) S1PR1KITLATS1LATS2LMNA
SCHEMBL14474687 0.88 S1PR1 (0.40) S1PR1S1PR3CHRNA7GRM5KIT
SCHEMBL16185159 0.88 S1PR1 (0.40) S1PR1S1PR3CHRNA7GRM5KIT
SCHEMBL16184852 0.87 HSD17B10 (0.47) S1PR1GRM5MAPTCYP1A2CYP3A4
SCHEMBL14475261 0.86 S1PR1 (0.41) S1PR1S1PR3CHRNA7GRM5LMNA
SCHEMBL14474678 0.85 S1PR1 (0.40) S1PR1S1PR3CHRNA7GRM5LMNA
SCHEMBL16185170 0.84 GRM5 (0.39) CHRNA7GRM5KITLMNAMAPT
SCHEMBL16185167 0.84 GRM5 (0.38) S1PR1CHRNA7GRM5KITLMNA

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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