SCHEMBL6028828

SCHEMBL6028828

COc1ccc(CN(C)C(=O)c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
MAPK14 Q16539 4/20 0.46
SLC2A1 P11166 2/20 0.44
SLC2A4 P14672 2/20 0.44
SLC2A8 Q9NY64 1/20 0.44
RIPK3 Q9Y572 1/20 0.43
CENPE Q02224 2/20 0.41
TACR1 P25103 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP13 P45452 1/20 0.41
MAPK13 O15264 1/20 0.40
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40

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
SCHEMBL4336951 0.88 MAPK14 (0.52) SRCBRAFKDRMAPK14CENPE
SCHEMBL6028838 0.84 TACR1 (0.59) SRCBRAFKDRMAPK14TACR1
SCHEMBL6029099 0.83 MAPK14 (0.48) SRCBRAFKDRMAPK14CENPE
SCHEMBL6029525 0.82 MAPT (0.52) SRCBRAFKDRMAPK14
SCHEMBL6029234 0.80 MAPK14 (0.47) SRCBRAFKDRMAPK14RIPK3
SCHEMBL6175653 0.80 SRC (0.50) SRCBRAFKDRMAPK14SLC2A1
SCHEMBL4336422 0.80 MAPK14 (0.45) SRCBRAFKDRMAPK14SLC2A1
SCHEMBL6028917 0.80 CENPE (0.41) SRCBRAFKDRMAPK14CENPE
SCHEMBL6027917 0.79 TACR1 (0.58) SRCBRAFKDRMAPK14CENPE
SCHEMBL6028830 0.77 MAPK14 (0.46) SRCBRAFKDRMAPK14TACR1

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 SRC 684/4885BRAF 122/4885KDR 2052/4885

“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.