SCHEMBL1907482

SCHEMBL1907482

COc1cc(-c2cnn(C)c2)cn2ncc(-c3ccc(C(=O)NCc4ccccc4)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.49
CLK1 P49759 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
EGFR P00533 2/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
BRD4 O60885 1/20 0.46
KIT P10721 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.44
AURKB Q96GD4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HCRTR2 O43614 1/20 0.43

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
SCHEMBL13509541 0.87 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL2352517 0.86 TLR8 (0.47) L3MBTL1MAPK1
SCHEMBL12418680 0.86 MARK3 (0.54) RETCLK1EGFRROCK2ROCK1
SCHEMBL1907066 0.86 KIT (0.46) RETCLK1KITHCRTR2
SCHEMBL2353205 0.81 MKNK1 (0.55) RET
SCHEMBL2347930 0.79 BRD4 (0.56) RETSMN1; SMN2BRD4
SCHEMBL20290926 0.79 CLK1 (0.57) CLK1ROCK2ROCK1BRD4L3MBTL1
SCHEMBL1906405 0.78 HCRTR2 (0.49) RETCLK1KITL3MBTL1MAPK1
SCHEMBL1902267 0.78 RECQL (0.58) ROCK2ROCK1L3MBTL1MAPK1HCRTR2
SCHEMBL12418265 0.78 MMP12 (0.48) SMN1; SMN2EGFRROCK2ROCK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US claimed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 RET 79/4885CLK1 380/4885SMN1; SMN2 1178/4885

“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.