SCHEMBL6028798

SCHEMBL6028798

CCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
RPS6KA5 O75582 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AKT1 P31749 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
PRKX P51817 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKG2 Q13237 1/20 0.49
DYRK1A Q13627 1/20 0.49
PRKG1 Q13976 1/20 0.49
PKN2 Q16513 1/20 0.49
CDC42BPA Q5VT25 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
SGK2 Q9HBY8 1/20 0.49

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
SCHEMBL6029791 0.92 MAPK14 (0.49) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL6029303 0.89 ROCK2 (0.48) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL4336706 0.89 MAPK14 (0.43) ROCK2ROCK1GSK3BMAPK14ALDH1A1
SCHEMBL6028765 0.88 MAPK14 (0.55) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL4340891 0.87 MAPK14 (0.44) ROCK2ROCK1GSK3BMAPK14ALDH1A1
SCHEMBL6029490 0.87 SMN1; SMN2 (0.47) MAPK1MAPK14ALDH1A1MAPTLMNA
SCHEMBL6028617 0.85 MAPK1 (0.48) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL6028485 0.82 L3MBTL1 (0.53) ROCK2ROCK1MAPK14ALDH1A1L3MBTL1
SCHEMBL6029537 0.82 MAPK14 (0.42) ROCK2ROCK1GSK3BMAPK14ALDH1A1
SCHEMBL4340894 0.81 MAPK14 (0.46) GSK3BMAPK14SRCBRAFKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1281604-C Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2006-10-25 CN disclosed
US-7087624-B2 Substituted pyrazole compounds TEIKOJU HORMONE MFG. CO., LTD. (JP) 2006-08-08 US disclosed
EP-1188754-B1 SUBSTITUTED PYRAZOLE COMPOUNDS TEIKOKU HORMONE MFG CO LTD (JP) 2005-06-01 EP disclosed
CN-1560051-A Substituted pyrazole compounds �۹���ҩ��ʽ���� 2005-01-05 CN disclosed
CN-1178931-C Substituted pyrazole compounds �۹���ҩ��ʽ���� 2004-12-08 CN disclosed
US-20040087628-A1 Substituted pyrazole compounds MINAMI NOBUYOSHI (JP) 2004-05-06 US disclosed
US-6667325-B1 P38MAP kinase inhibiters; tumor necrosis factor alpha, interleukin 1 and 6 and cyclooxygenase II related diseases TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-12-23 US disclosed
CN-1353704-A Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2002-06-12 CN disclosed
EP-1188754-A1 SUBSTITUTED PYRAZOLE COMPOUNDS Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-03-20 EP 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-20040087628-A1 Substituted pyrazole compounds CNKSR1, MAPK1, IRAK1 MAPK1 2/4885ROCK2 729/4885ROCK1 224/4885

“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.