SCHEMBL4143944

SCHEMBL4143944

CC(C)(N)c1nnc(-c2cc(F)c3[nH]nc(/C=C/c4ccc(F)cc4)c3c2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHEK1 O14757 4/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30

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
SCHEMBL4143948 1.00 KDM4E (0.32) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4152755 0.91 PTGS1 (0.32) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4152761 0.91 PTGS1 (0.32) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4146661 0.86 KDM4E (0.35) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4146657 0.86 KDM4E (0.35) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4146375 0.85 KDM4E (0.34) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4146371 0.85 KDM4E (0.34) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4150470 0.84 KDM4E (0.34) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4150476 0.84 KDM4E (0.34) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL4159252 0.83 CHEK1 (0.34) KDM4EMEN1ALDH1A1GLAGAA

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 8 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-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 KDM4E 2622/4885MEN1 4415/4885ALDH1A1 2731/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885MEN1 4470/4885ALDH1A1 2713/4885

“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.