SCHEMBL13853836

SCHEMBL13853836

CNC(=O)NCc1cccc(C(=O)NC(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.61
▸ ROCK1 Q13464 1/20 0.61
▸ MMP13 P45452 1/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ BRD4 O60885 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45

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
SCHEMBL13853838 0.87 SLC7A5 (0.55) ROCK2ROCK1MMP13ALDH1A1LMNA
SCHEMBL13853832 0.85 KMT2A (0.66) ROCK2ROCK1MMP13NAMPTKDM4E
SCHEMBL23553939 0.82 ROCK2 (0.60) ROCK2ROCK1MMP13KDM4ENPSR1
SCHEMBL13853740 0.80 F10 (0.54) ROCK2ROCK1
SCHEMBL13853876 0.80 MAPT (0.53) ROCK2ROCK1KMT2AMAPTL3MBTL1
SCHEMBL17540487 0.79 NPSR1 (0.56) ROCK2ROCK1KDM4ENPSR1BRD4
SCHEMBL13753809 0.79 NPSR1 (0.56) ROCK2ROCK1KDM4ENPSR1ALDH1A1
SCHEMBL20371784 0.79 ROCK2 (0.60) ROCK2ROCK1MMP13KDM4EALDH1A1
SCHEMBL3305869 0.79 ROCK2 (0.56) ROCK2ROCK1MMP13KDM4ENPSR1
SCHEMBL3305875 0.79 ROCK2 (0.56) ROCK2ROCK1MMP13KDM4ENPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 — — US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — 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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 ROCK2 1291/4885ROCK1 897/4885MMP13 3903/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 ROCK2 1291/4885ROCK1 897/4885MMP13 3903/4885

“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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