SCHEMBL4158341

SCHEMBL4158341

CN(C)Cc1nnc(-c2cc(F)c3[nH]nc(/C=C/c4cccnc4)c3c2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK1 P06493 3/20 0.33
CDK4 P11802 3/20 0.33
CCNA2 P20248 3/20 0.33
CCND1 P24385 3/20 0.33
CDK2 P24941 3/20 0.33
CCND3 P30281 3/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
AURKA O14965 2/20 0.32
KDR P35968 2/20 0.32
PLK4 O00444 1/20 0.32
WNT1 P04628 2/20 0.32

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
SCHEMBL4158347 1.00 CHEK1 (0.38) CHEK1NPC1RAB9AIDO1TDO2
SCHEMBL4137673 0.87 CHEK1 (0.42) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4137679 0.87 CHEK1 (0.42) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4145409 0.86 CHEK1 (0.41) CHEK1NPC1RAB9AIDO1TDO2
SCHEMBL4145403 0.86 CHEK1 (0.41) CHEK1NPC1RAB9AIDO1TDO2
SCHEMBL4156286 0.86 PLK4 (0.36) CHEK1KDRPLK4
SCHEMBL4156290 0.86 PLK4 (0.36) CHEK1KDRPLK4
SCHEMBL4149422 0.79 CHEK1 (0.37) CHEK1IDO1TDO2CLK2CLK3
SCHEMBL4149425 0.79 CHEK1 (0.37) CHEK1IDO1TDO2CLK2CLK3
SCHEMBL14075064 0.77 FLT3 (0.35) CHEK1KDRPLK4

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 10 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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 CHEK1 952/4885NPC1 3183/4885RAB9A 1606/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885NPC1 3703/4885RAB9A 1726/4885

“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.