SCHEMBL16183740

SCHEMBL16183740

Fc1cccc(-c2cc3c(Cl)nc(-c4cccnc4)nc3cc2OC(F)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.37
▸ ABL1 P00519 3/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ USP1 O94782 1/20 0.36
▸ WDR48 Q8TAF3 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL16183739 0.86 CYP1A2 (0.49) PDE5AABCG2HPGDGBA1USP1
SCHEMBL16183742 0.80 ABCG2 (0.43) PDE5AABCG2CYP11B1CYP11B2HPGD
SCHEMBL16183541 0.74 CYP1A2 (0.52) PDE5AABCG2USP1WDR48ALDH1A1
SCHEMBL16183511 0.73 CYP1A2 (0.50) PDE5AABCG2HPGDGBA1KDM4E
SCHEMBL20782725 0.73 PDE10A (0.54) ABCG2CYP11B1CYP11B2HPGDGBA1
Hydrochloric Acid SCHEMBL7287195 0.72 PDE10A (0.53) ABCG2CYP11B1CYP11B2HPGDGBA1
SCHEMBL16183497 0.71 CYP1A2 (0.52) PDE5AABCG2HPGDGBA1USP1
SCHEMBL16183922 0.70 CYP1A2 (0.57) PDE5AABCG2HPGDGBA1USP1
SCHEMBL16183927 0.70 PDE5A (0.60) PDE5AABCG2CYP11B1CYP11B2HPGD
SCHEMBL15966730 0.69 NPC1 (0.48) PDE5ACYP11B1CYP11B2HPGDALDH1A1

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 PDE5A 704/4885ABL1 39/4885ABCG2 1597/4885

“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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