SCHEMBL3901384

SCHEMBL3901384

Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCCCC3)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.54
EGFR P00533 2/20 0.51
RAF1 P04049 2/20 0.51
ERBB2 P04626 2/20 0.51
KDR P35968 2/20 0.51
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
SRC P12931 1/20 0.44
CSNK1D P48730 1/20 0.44

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
SCHEMBL5812796 0.85 MAPK14 (0.71) MAPK14EGFRRAF1ERBB2KDR
SCHEMBL5815293 0.82 MAPK14 (0.58) MAPK14
SCHEMBL1518734 0.82 MAPK14 (0.74) MAPK14EGFRKDRMAPK8MAPK9
SCHEMBL5818374 0.81 MAPK14 (0.54) MAPK14EGFRRAF1ERBB2KDR
SCHEMBL1518847 0.81 MAPK14 (0.75) MAPK14EGFRKDRMAPK8MAPK9
SCHEMBL2517623 0.79 MAPK14 (0.66) MAPK14EGFRRAF1ERBB2KDR
SCHEMBL5205345 0.76 TGFBR1 (0.53) MAPK14EGFR
SCHEMBL3890890 0.76 ADORA3 (0.54) MAPK14EGFRRAF1ERBB2KDR
SCHEMBL3890113 0.74 MAPT (0.54) MAPK14EGFR
SCHEMBL2842469 0.73 MAPK14 (0.65) MAPK14EGFRRAF1ERBB2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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 (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-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 MAPK14 31/4885EGFR 1762/4885RAF1 140/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 MAPK14 14/4885EGFR 454/4885RAF1 78/4885

“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.