SCHEMBL2914033

SCHEMBL2914033

CS(=O)(=O)N1Cc2n[nH]c(NC(=O)/C=C\c3ccncc3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
MDM2 Q00987 1/20 0.38
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 3/20 0.36
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2914038 1.00 HDAC1 (0.43) HDAC1LMNAMAPTKDM4EHPGD
SCHEMBL2920219 0.92 MAPT (0.46) HDAC1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL2924281 0.92 MAPT (0.46) HDAC1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL2920225 0.92 MAPT (0.46) HDAC1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL2917668 0.91 HDAC1 (0.40) HDAC1LMNAMAPTKDM4EHPGD
SCHEMBL2917659 0.91 HDAC1 (0.40) HDAC1LMNAMAPTKDM4EHPGD
SCHEMBL2919183 0.89 NAMPT (0.49) NAMPT
SCHEMBL2919181 0.89 NAMPT (0.49) NAMPT
SCHEMBL2924953 0.86 HDAC1 (0.51) HDAC1LMNAMAPTKDM4EHPGD
SCHEMBL2924956 0.86 HDAC1 (0.51) HDAC1LMNAMAPTKDM4EHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US 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 (3 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 HDAC1 604/4885LMNA 2208/4885MAPT 1172/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 HDAC1 373/4885LMNA 3028/4885MAPT 1104/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 HDAC1 604/4885LMNA 2208/4885MAPT 1172/4885

“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.