SCHEMBL4149442

SCHEMBL4149442

NC(=O)c1c[c]nc2c(-c3cccc(F)c3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.41
MAP4K4 O95819 2/20 0.40
HPGDS O60760 1/20 0.38
MAP2K4 P45985 5/20 0.38
FYN P06241 1/20 0.37
HTR7 P34969 1/20 0.37
MAP2K7 O14733 1/20 0.36
CHEK2 O96017 2/20 0.36
PIM1 P11309 2/20 0.36
CDK2 P24941 2/20 0.36
GSK3B P49841 2/20 0.36
JAK3 P52333 2/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CDK1 P06493 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL4216578 0.85 MAPK1 (0.39) CDC7MAP2K4MAPK1JAK2
SCHEMBL4135880 0.70 ALDH1A1 (0.34) AURKARPS6KB1LMNA
SCHEMBL2858316 0.69 MAP2K4 (0.52) MAP2K4HTR7PIM1MAPK1NOTUM
SCHEMBL5801740 0.67 MAP2K4 (0.65) HPGDSMAP2K4FYNMAP2K7CHEK2
SCHEMBL2991676 0.66 LMNA (0.57) CDC7MAP4K4HPGDSCHEK2PIM1
SCHEMBL6545461 0.66 ICMT (0.45) MAP4K4HPGDSMAP2K4HTR7MAP2K7
SCHEMBL2862227 0.65 ADORA2A (0.49) MAP4K4MAP2K4HTR7AURKAFGFR1
SCHEMBL27940776 0.65 PARP1 (0.53) CDC7MAP4K4HPGDSCHEK2PIM1
SCHEMBL2861586 0.64 MAP2K4 (0.56) MAP2K4HTR7MAPK1NOTUMGRK6
SCHEMBL18726294 0.64 SCN9A (0.57) HPGDSPIM1GSK3BCHEK1MAPK1

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 4 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-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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B CDC7 1472/4885MAP4K4 94/4885HPGDS 3246/4885

“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.