SCHEMBL16184122

SCHEMBL16184122

CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3ccc(C)c(F)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.46
▸ ABCB1 P08183 6/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ ABCC1 P33527 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PDE2A O00408 3/20 0.41
▸ PDE5A O76074 3/20 0.41
▸ PDE11A Q9HCR9 3/20 0.41
▸ PDE10A Q9Y233 3/20 0.41
▸ USP2 O75604 2/20 0.40
▸ LMNA P02545 2/20 0.40

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
SCHEMBL16184124 0.92 CYP1A2 (0.46) S1PR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16184034 0.92 CYP1A2 (0.47) S1PR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16183566 0.92 CYP1A2 (0.47) S1PR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16184035 0.91 CYP1A2 (0.48) S1PR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16184029 0.90 CYP1A2 (0.45) S1PR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16183564 0.89 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16183570 0.89 CYP1A2 (0.50) S1PR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16183506 0.89 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16184030 0.88 CYP1A2 (0.45) S1PR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16184121 0.87 CYP1A2 (0.47) S1PR1CYP1A2CYP3A4CYP2D6CYP2C9

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 3969/4885CYP1A2 2971/4885CYP3A4 4456/4885

“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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