SCHEMBL5029962

SCHEMBL5029962

O=C(NCc1cccnc1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MMP13 P45452 1/20 0.44
HTT P42858 2/20 0.42
SCN9A Q15858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
PSMD14 O00487 1/20 0.41
STAMBP O95630 1/20 0.41
CHEK1 O14757 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL14074994 0.82 HPGD (0.48) LMNAHTTSCN9AKDM4EPOLB
SCHEMBL5029945 0.82 SCN9A (0.42) LMNASCN9AKDM4EPOLBPSMD14
SCHEMBL5030106 0.81 CHEK1 (0.40) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL13927664 0.81 KDR (0.49) LMNAHTTNPSR1KDM4ENAMPT
SCHEMBL4148339 0.78 CHEK1 (0.47) POLBCHEK1CDK1CDK4CCNA2
SCHEMBL4148344 0.78 CHEK1 (0.47) POLBCHEK1CDK1CDK4CCNA2
SCHEMBL4146547 0.77 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4146553 0.77 DYRK1A (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5034282 0.76 CAPN1 (0.42) SCN9A
SCHEMBL5029997 0.76 HPGD (0.52) LMNAHTTSCN9AKDM4EPOLB

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 LMNA 3498/4885MMP13 2841/4885HTT 3942/4885

“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.