SCHEMBL4156286

SCHEMBL4156286

CN(C)Cc1nnc(-c2cc(F)c3[nH]nc(/C=C/c4ccc(F)cc4)c3c2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.36
NMT1 P30419 1/20 0.34
FLT3 P36888 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
CHEK1 O14757 2/20 0.31
KDR P35968 1/20 0.31
IP6K1 Q92551 1/20 0.31
IP6K3 Q96PC2 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL4156290 1.00 PLK4 (0.36) PLK4NMT1FLT3KDM4EMEN1
SCHEMBL14075064 0.90 FLT3 (0.35) PLK4FLT3KDM4EMEN1ALDH1A1
SCHEMBL4137673 0.89 CHEK1 (0.42) NMT1FLT3NTRK1NTRK3NTRK2
SCHEMBL4137679 0.89 CHEK1 (0.42) NMT1FLT3NTRK1NTRK3NTRK2
SCHEMBL4150476 0.88 KDM4E (0.34) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4150470 0.88 KDM4E (0.34) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4149531 0.87 KDM4E (0.33) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4149537 0.87 KDM4E (0.33) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4141943 0.86 KDM4E (0.32) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4141948 0.86 KDM4E (0.32) KDM4EMEN1ALDH1A1GLAGAA

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-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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 PLK4 595/4885NMT1 4731/4885FLT3 815/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PLK4 618/4885NMT1 4704/4885FLT3 702/4885

“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.