SCHEMBL16183289

SCHEMBL16183289

NC(=O)C(F)(F)CNc1nc(-c2ccccc2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ PRNP P04156 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ABCG2 Q9UNQ0 3/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KCNN4 O15554 1/20 0.38

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
SCHEMBL14475092 0.91 PDE5A (0.54) PDE5AMAPTMEN1KMT2ALMNA
SCHEMBL14475031 0.82 PDE5A (0.53) PDE5AMAPTLMNAKDM4EALDH1A1
SCHEMBL14475219 0.78 PDE5A (0.60) PDE5AMAPTMEN1KMT2ALMNA
SCHEMBL20273693 0.77 PDE5A (0.54) PDE5AMAPTMEN1KMT2ALMNA
SCHEMBL16184579 0.75 DYRK1A (0.41) PDE5AMAPTMEN1KMT2ALMNA
SCHEMBL14474908 0.72 PDE5A (0.50) PDE5AMAPTKMT2ALMNAKDM4E
SCHEMBL14727823 0.72 PDE5A (0.62) PDE5AMAPTMEN1KMT2ALMNA
SCHEMBL14474100 0.71 PDE5A (0.61) PDE5AMAPTLMNAKDM4EALDH1A1
SCHEMBL17212417 0.70 AURKA (0.52) PDE5AMAPTMEN1KMT2ALMNA
SCHEMBL14474517 0.70 PDE5A (0.64) PDE5AMEN1KMT2ALMNAALDH1A1

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 704/4885MAPT 509/4885MEN1 4814/4885

“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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