SCHEMBL2917486

SCHEMBL2917486

O=C(Nc1[nH]nc2c1CN(S(=O)(=O)c1ccccc1)C2)c1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 4/20 0.52
HTT P42858 2/20 0.52
PTBP1 P26599 1/20 0.52
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.47
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
AURKA O14965 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2917489 0.84 CCNA2 (0.65) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2915888 0.82 MEN1 (0.49) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL2919885 0.81 STK25 (0.46) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL2917421 0.80 CCNA2 (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2920519 0.79 CCNA2 (0.68) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL2923174 0.77 KDM4E (0.53) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2915847 0.77 FLT3 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AAURKA
SCHEMBL2917352 0.76 MAPT (0.56) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2923683 0.75 IGF1R (0.47) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2923690 0.75 PPARG (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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 MAPT 1172/4885ALDH1A1 4090/4885SMN1; SMN2 3514/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MAPT 1104/4885ALDH1A1 3455/4885SMN1; SMN2 2568/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MAPT 1172/4885ALDH1A1 4090/4885SMN1; SMN2 3514/4885

“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.