SCHEMBL13947591

SCHEMBL13947591

Cc1ccc(C(=O)NCc2cccc(OC(F)F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.68
▸ MAPK14 Q16539 2/20 0.57
▸ ROCK2 O75116 5/20 0.57
▸ ROCK1 Q13464 4/20 0.57
▸ LMNA P02545 3/20 0.55
▸ POLB P06746 1/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ GSK3A P49840 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ PRKX P51817 1/20 0.54
▸ PRKCQ Q04759 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.51

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
SCHEMBL13947362 0.85 LMNA (0.68) MMP13MAPK14LMNAPOLBCYP3A4
SCHEMBL13940425 0.85 MMP13 (0.90) MMP13MAPK14ROCK2ROCK1LMNA
SCHEMBL27913637 0.85 ROCK2 (0.66) MMP13MAPK14ROCK2ROCK1LMNA
SCHEMBL3031965 0.82 HDAC8 (0.60) MMP13MAPK14ROCK2ROCK1LMNA
SCHEMBL14009845 0.81 ROCK2 (0.54) MMP13MAPK14ROCK2ROCK1CYP3A4
SCHEMBL10194841 0.80 MMP13 (0.61) MMP13MAPK14ROCK2LMNAPOLB
SCHEMBL22995143 0.79 ALDH1A1 (0.55) MMP13ROCK2ROCK1POLBALDH1A1
SCHEMBL31036960 0.79 ALDH1A1 (0.55) MMP13ROCK2ROCK1POLBALDH1A1
SCHEMBL5213931 0.78 ROCK2 (0.54) MMP13MAPK14ROCK2ROCK1LMNA
SCHEMBL2002841 0.78 MEP1B (0.52) MMP13MAPK14ROCK2ROCK1LMNA

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-20090029990-A1 Dihydropteridinones in the treatment of respiratory diseases MAIER UDO 2009-01-29 — — US disclosed
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 — — 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 (2 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-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 MMP13 3128/4885MAPK14 4305/4885ROCK2 2630/4885
US-20090029990-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 MMP13 3128/4885MAPK14 4305/4885ROCK2 2630/4885

“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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