SCHEMBL4145185

SCHEMBL4145185

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MAPT P10636 2/20 0.33
NEK2 P51955 2/20 0.33
PLK1 P53350 2/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33

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
SCHEMBL4145196 1.00 EGLN1 (0.34) EGLN1ALDH1A1L3MBTL1DRD3DRD2
SCHEMBL4145449 0.91 RAB9A (0.39) EGLN1ALDH1A1MAPTAURKAAURKB
SCHEMBL4145446 0.91 RAB9A (0.39) EGLN1ALDH1A1MAPTAURKAAURKB
SCHEMBL4149501 0.91 SMN1; SMN2 (0.40) DRD3DRD2DRD4MAPTCHEK1
SCHEMBL4149499 0.91 SMN1; SMN2 (0.40) DRD3DRD2DRD4MAPTCHEK1
SCHEMBL4146020 0.90 AURKA (0.35) EGLN1NEK2PLK1CHEK1CCNA2
SCHEMBL4146023 0.90 AURKA (0.35) EGLN1NEK2PLK1CHEK1CCNA2
SCHEMBL4151036 0.88 BACE1 (0.40) NEK2PLK1CHEK1CCNA2CDK2
SCHEMBL4162243 0.88 TUBB1 (0.43) NEK2PLK1CHEK1CCNA2CDK2
SCHEMBL4151031 0.88 BACE1 (0.40) NEK2PLK1CHEK1CCNA2CDK2

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 5 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-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 EGLN1 3422/4885ALDH1A1 2731/4885L3MBTL1 4568/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B EGLN1 3231/4885ALDH1A1 2713/4885L3MBTL1 4095/4885

“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.