SCHEMBL5030106

SCHEMBL5030106

CC(=O)NCCNC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
KDR P35968 6/20 0.37
FGFR1 P11362 2/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
SNCA P37840 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NOTUM Q6P988 1/20 0.34
AURKA O14965 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL5029945 0.84 SCN9A (0.42) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146553 0.83 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146547 0.83 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL14074994 0.82 HPGD (0.48)
SCHEMBL4148339 0.82 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4148344 0.82 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5029962 0.81 LMNA (0.45) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5029958 0.81 TRPV3 (0.45) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL13927643 0.81 MAP4K4 (0.46) MAP4K4
SCHEMBL6427150 0.80 SCN9A (0.43) CHEK1CDK1CDK4CCNA2CCND1

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-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

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK1 180/4885CDK4 260/4885

“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.