SCHEMBL4144536

SCHEMBL4144536

NC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.42
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AURKA O14965 3/20 0.38
RPS6KB1 P23443 3/20 0.38
JAK2 O60674 2/20 0.37
NTRK1 P04629 1/20 0.37
MAPT P10636 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL4144546 1.00 PARP1 (0.42) PARP1MAPK14MEN1KMT2AAURKA
SCHEMBL4156162 0.92 MEN1 (0.41) PARP1MAPK14MEN1KMT2AMAPT
SCHEMBL4156167 0.92 MEN1 (0.41) PARP1MAPK14MEN1KMT2AMAPT
SCHEMBL4302169 0.89 HTR2A (0.39) MAPK14MEN1KMT2AMAPTHDAC3
SCHEMBL4302165 0.89 HTR2A (0.39) MAPK14MEN1KMT2AMAPTHDAC3
SCHEMBL4144216 0.88 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1LDHA
SCHEMBL4144214 0.88 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1LDHA
SCHEMBL4137883 0.79 NFE2L2 (0.37) MEN1KMT2AAURKARPS6KB1JAK2
SCHEMBL4137889 0.79 NFE2L2 (0.37) MEN1KMT2AAURKARPS6KB1JAK2
SCHEMBL4139328 0.78 TRPA1 (0.32) MEN1KMT2AAURKARPS6KB1JAK2

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 PARP1 3214/4885MAPK14 70/4885MEN1 4415/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PARP1 3155/4885MAPK14 66/4885MEN1 4470/4885

“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.