SCHEMBL2922589

SCHEMBL2922589

COc1ccc(OC)c(C(=O)Nc2[nH]nc3c2CN(S(=O)(=O)Cc2ccccc2)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 6/20 0.42
PKM P14618 1/20 0.42
LRRK2 Q5S007 1/20 0.41
MAPK1 P28482 1/20 0.40
PTK2B Q14289 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
NAMPT P43490 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
AGTR1 P30556 1/20 0.40
TLR9 Q9NR96 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 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
SCHEMBL2920718 0.90 ALDH1A1 (0.46) TSHRALDH1A1MAPK1POLBMAPT
SCHEMBL2922202 0.87 KMT2A (0.48) TSHRALDH1A1PKMPOLBMAPT
SCHEMBL2918079 0.86 TP53 (0.43) TSHRALDH1A1MAPK1POLBMAPT
SCHEMBL2917933 0.86 TP53 (0.43) ALDH1A1POLBMAPTNAMPTHSD11B1
SCHEMBL2917687 0.86 ALDH1A1 (0.54) TSHRALDH1A1PKMMAPTKMT2A
SCHEMBL2917016 0.86 NPC1 (0.44) ALDH1A1PKMLRRK2MAPK1POLB
SCHEMBL2921437 0.86 L3MBTL1 (0.47) TSHRALDH1A1PKMPOLBMAPT
SCHEMBL2915486 0.85 TSHR (0.49) TSHRALDH1A1PKMLRRK2MAPK1
SCHEMBL2923587 0.85 ALDH1A1 (0.49) TSHRALDH1A1LRRK2MAPK1POLB
SCHEMBL2920017 0.85 ALDH1A1 (0.44) TSHRALDH1A1PKMMAPTKMT2A

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 TSHR 4177/4885ALDH1A1 4090/4885PKM 369/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 TSHR 4265/4885ALDH1A1 3455/4885PKM 452/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 TSHR 4177/4885ALDH1A1 4090/4885PKM 369/4885

“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.