SCHEMBL5034401

SCHEMBL5034401

O=C(NCc1cccnc1)c1cc2c(/C=C/c3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
CHEK1 O14757 1/20 0.46
USP2 O75604 1/20 0.45
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
KDR P35968 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.42
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL13927664 0.88 KDR (0.49) KDM4ECHEK1USP2NAMPTALDH1A1
SCHEMBL4332486 0.84 KDM4E (0.48) KDM4EUSP2NAMPTALDH1A1HPGD
SCHEMBL13927679 0.82 KDM4E (0.45) KDM4EUSP2ALDH1A1HPGDTSHR
SCHEMBL5034338 0.82 HPGD (0.48) KDM4ECHEK1ALDH1A1HPGDTSHR
SCHEMBL4146139 0.79 CHEK1 (0.53) CHEK1KDR
SCHEMBL4146132 0.79 CHEK1 (0.53) CHEK1KDR
SCHEMBL4149028 0.78 KDR (0.47) CHEK1HPGDKDRHTT
SCHEMBL4149026 0.78 KDR (0.47) CHEK1HPGDKDRHTT
SCHEMBL4341432 0.76 ALDH1A1 (0.47) KDM4EUSP2ALDH1A1HPGDTSHR
SCHEMBL5034308 0.76 CHEK1 (0.44) CHEK1KDR

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 6 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-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 (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 KDM4E 2622/4885CHEK1 952/4885USP2 3798/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885CHEK1 657/4885USP2 3761/4885

“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.