SCHEMBL16184467

SCHEMBL16184467

CNc1nc(-c2cccnc2)nc2c(CN3CCCC3)cc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ PDE5A O76074 4/20 0.40
▸ WNT1 P04628 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GBA1 P04062 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL16184466 0.93 CYP1A2 (0.45) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL16185021 0.85 PIK3CA (0.42) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL14727589 0.85 CYP1A2 (0.51) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL16185037 0.85 PIK3CA (0.42) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL16184468 0.82 CYP3A4 (0.43) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL14359014 0.82 CYP1A2 (0.45) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL16183556 0.82 CYP1A2 (0.47) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL16183494 0.80 CYP1A2 (0.46) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL16183578 0.80 CYP1A2 (0.46) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6
SCHEMBL16185029 0.80 GSK3B (0.40) CYP1A2CYP3A4HSD17B10CYP2C19CYP2D6

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 CYP1A2 2971/4885CYP3A4 4456/4885HSD17B10 2670/4885

“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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