SCHEMBL2924780

SCHEMBL2924780

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CCN(S(=O)(=O)c2ccccc2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK25 O00506 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
AURKA O14965 1/20 0.43
HSD11B1 P28845 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
IGF1R P08069 1/20 0.41
AKR1C3 P42330 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL2922374 0.93 STK25 (0.46) STK25TRPV4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2919885 0.91 STK25 (0.46) STK25TRPV4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2924929 0.88 BTK (0.43) STK25TRPV4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2923174 0.84 KDM4E (0.53) TRPV4KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2919283 0.82 GAA (0.46) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2923683 0.82 IGF1R (0.47) KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL2921766 0.81 AURKA (0.43) STK25TRPV4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2919597 0.81 MEN1 (0.47) STK25TRPV4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2924969 0.80 BTK (0.42) STK25TRPV4SMN1; SMN2MAPTKMT2A
SCHEMBL2919883 0.80 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A

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 STK25 73/4885TRPV4 4091/4885KDM4E 2358/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 STK25 78/4885TRPV4 4231/4885KDM4E 3487/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 STK25 73/4885TRPV4 4091/4885KDM4E 2358/4885

“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.