SCHEMBL4144579

SCHEMBL4144579

COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(N)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
CYP19A1 P11511 7/20 0.39
NQO2 P16083 2/20 0.39
KDR P35968 6/20 0.38
ALDH1A1 P00352 1/20 0.37
CHEK1 O14757 4/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
MMP9 P14780 1/20 0.35
LCK P06239 1/20 0.35
FGFR1 P11362 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KRAS P01116 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 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
SCHEMBL4144584 1.00 PIM1 (0.40) PIM1CYP19A1NQO2KDRALDH1A1
SCHEMBL4144222 0.90 NPC1 (0.44) ALDH1A1KDM4ENPC1PKMRAB9A
SCHEMBL4136045 0.90 TUBB4A (0.38) NQO2KDRCHEK1CCNA2CDK2
SCHEMBL4144227 0.90 NPC1 (0.44) ALDH1A1KDM4ENPC1PKMRAB9A
SCHEMBL4136051 0.90 TUBB4A (0.38) NQO2KDRCHEK1CCNA2CDK2
SCHEMBL4145366 0.90 KDR (0.44) KDRCHEK1LCKFGFR1CDK4
SCHEMBL4145369 0.90 KDR (0.44) KDRCHEK1LCKFGFR1CDK4
SCHEMBL4137389 0.89 NFE2L2 (0.38) NQO2KDRALDH1A1CHEK1FGFR1
SCHEMBL4137527 0.89 KDR (0.39) KDRALDH1A1CHEK1CCNA2CDK2
SCHEMBL4137384 0.89 NFE2L2 (0.38) NQO2KDRALDH1A1CHEK1FGFR1

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 9 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
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 PIM1 1645/4885CYP19A1 978/4885NQO2 1516/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PIM1 1528/4885CYP19A1 1160/4885NQO2 1708/4885

“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.