SCHEMBL4145175

SCHEMBL4145175

NC(=O)c1c[c]nc2c(-c3ccc4ccccc4c3)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
SRC P12931 3/20 0.38
RIPK2 O43353 1/20 0.38
CDC7 O00311 1/20 0.38
CHEK2 O96017 1/20 0.37
IKBKB O14920 3/20 0.36
CHUK O15111 2/20 0.36
ALPL P05186 1/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PARP1 P09874 3/20 0.36
NOTUM Q6P988 1/20 0.35
MAP4K4 O95819 2/20 0.35
FLT3 P36888 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
KDR P35968 2/20 0.35
ROS1 P08922 1/20 0.35
GSK3B P49841 1/20 0.35
ITK Q08881 1/20 0.35

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
SCHEMBL4149442 0.81 CDC7 (0.41) CDC7CHEK2MAPK9PARP1NOTUM
SCHEMBL4216578 0.81 MAPK1 (0.39) CA12CDC7IKBKBCHUKALPL
SCHEMBL5374570 0.67 MAP2K4 (0.59) CHEK2MAPK8KDRCDK4CCNA2
SCHEMBL31032063 0.66 PARP1 (0.51) SRCRIPK2CDC7CHEK2MAPK9
SCHEMBL4149107 0.66 KDR (0.44) CA12SRCRIPK2CDC7CHEK2
SCHEMBL13636075 0.66 CDK4 (0.47) SRCRIPK2CHEK2ALPLMAPK8
SCHEMBL4153491 0.64 CA12 (0.49) CA12ALPLMAPK8MAPK9MAPK10
SCHEMBL4145178 0.64 SRC (0.44) CA12SRCRIPK2CHEK2MAPK8
SCHEMBL31621279 0.63 SLC6A2 (0.64) CDC7IKBKBPARP1LMNARAB9A
SCHEMBL31621280 0.63 SLC6A2 (0.64) CDC7IKBKBPARP1LMNARAB9A

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 CA12 2541/4885SRC 139/4885RIPK2 302/4885

“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.