SCHEMBL4152871

SCHEMBL4152871

O=c1[nH]ccc2[nH]nc(-c3cccc(F)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 8/20 0.46
NOTUM Q6P988 1/20 0.43
TTK P33981 4/20 0.42
HTR7 P34969 1/20 0.42
IDO1 P14902 1/20 0.40
JAK2 O60674 1/20 0.39
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
CHEK1 O14757 1/20 0.38
MAP2K7 O14733 1/20 0.38
NTRK1 P04629 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL2861737 0.73 MAP2K4 (0.43) MAP2K4NOTUMTTKHTR7NTRK1
SCHEMBL2863486 0.72 MAP2K4 (0.52) MAP2K4NOTUMTTKHTR7MAPK1
SCHEMBL14075037 0.72 JAK2 (0.41) NOTUMJAK2MAOBCHEK1
SCHEMBL6426107 0.72 MAP2K4 (0.46) MAP2K4NOTUMTTKHTR7MAPK1
SCHEMBL2857597 0.71 MAP2K4 (0.41) MAP2K4TTKHTR7NTRK1CLK2
SCHEMBL695846 0.71 MAP2K4 (0.41) MAP2K4NOTUMTTKHTR7IDO1
SCHEMBL2860957 0.71 AURKA (0.66) MAP2K4TTKHTR7IDO1MAPK1
SCHEMBL27536142 0.70 CHUK (0.46) MAP2K4TTKHTR7IDO1NTRK1
SCHEMBL16611054 0.69 TTK (0.60) MAP2K4TTKMAP2K7
SCHEMBL2863456 0.69 TTK (0.48) MAP2K4TTKHTR7NTRK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MAP2K4 48/4885NOTUM 4693/4885TTK 246/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAP2K4 54/4885NOTUM 4742/4885TTK 240/4885

“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.