SCHEMBL2914588

SCHEMBL2914588

O=C(Nc1[nH]nc2c1CN(S(=O)(=O)Cc1ccccc1)C2)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
PARP1 P09874 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
BACE1 P56817 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD4 P21917 3/20 0.39
MAPK10 P53779 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.37
KMT2A Q03164 2/20 0.37
DEGS1 O15121 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL2924979 0.87 KMT2A (0.39) LMNAPOLBHPGDALDH1A1KMT2A
SCHEMBL2920200 0.87 KMT2A (0.35) BCHEPARP1LMNAHPGDSMN1; SMN2
SCHEMBL2917911 0.86 KMT2A (0.43) LMNAHPGDALDH1A1KMT2A
SCHEMBL2923979 0.86 KMT2A (0.41) BCHEHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2916748 0.86 RAB9A (0.45) POLBKMT2AMEN1
SCHEMBL2917192 0.86 BCHE (0.40) BCHELMNAHPGDALDH1A1KMT2A
SCHEMBL2919275 0.86 SMN1; SMN2 (0.43) PARP1LMNAPOLBHPGDSMN1; SMN2
SCHEMBL2916008 0.85 SMN1; SMN2 (0.52) PARP1LMNAPOLBHPGDSMN1; SMN2
SCHEMBL2918900 0.85 NPY5R (0.45) LMNAHPGDSMN1; SMN2MAPK10ALDH1A1
SCHEMBL2914214 0.85 NTRK1 (0.42) LMNAHPGDALDH1A1KMT2A

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 BCHE 4120/4885PARP1 891/4885NR1H4 3540/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 BCHE 4221/4885PARP1 949/4885NR1H4 1619/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 BCHE 4120/4885PARP1 891/4885NR1H4 3540/4885

“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.