SCHEMBL4162242

SCHEMBL4162242

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCC#N)c(OC)c23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 11/20 0.43
MCL1 Q07820 1/20 0.38
NEK2 P51955 3/20 0.36
PLK1 P53350 3/20 0.36
CHEK1 O14757 1/20 0.35
LCK P06239 1/20 0.35
FGFR1 P11362 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
KDR P35968 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35

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
SCHEMBL4162243 1.00 TUBB1 (0.43) TUBB1MCL1NEK2PLK1CHEK1
SCHEMBL4151036 0.93 BACE1 (0.40) TUBB1MCL1NEK2PLK1CHEK1
SCHEMBL4151031 0.93 BACE1 (0.40) TUBB1MCL1NEK2PLK1CHEK1
SCHEMBL4146020 0.93 AURKA (0.35) TUBB1MCL1NEK2PLK1CHEK1
SCHEMBL4146023 0.93 AURKA (0.35) TUBB1MCL1NEK2PLK1CHEK1
SCHEMBL4139933 0.92 CHEK1 (0.43) TUBB1NEK2PLK1CHEK1LCK
SCHEMBL4139927 0.92 CHEK1 (0.43) TUBB1NEK2PLK1CHEK1LCK
SCHEMBL5034333 0.89 NEK2 (0.34) TUBB1NEK2PLK1CHEK1LCK
SCHEMBL5034344 0.89 NEK2 (0.34) TUBB1NEK2PLK1CHEK1LCK
SCHEMBL4145185 0.88 EGLN1 (0.34) TUBB1NEK2PLK1CHEK1CCNA2

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 7 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-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 TUBB1 1495/4885MCL1 966/4885NEK2 146/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TUBB1 1202/4885MCL1 592/4885NEK2 132/4885

“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.