SCHEMBL2921371

SCHEMBL2921371

COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C(N)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
FOXO1 Q12778 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
CTSD P07339 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL2918879 0.90 MAPT (0.49) ADORA3ADORA2AADORA1RXFP1FOXO1
SCHEMBL2923389 0.88 GAA (0.41) TP53RAB9AGAAKMT2AMEN1
SCHEMBL2918209 0.87 BRD4 (0.42) RXFP1SMN1; SMN2TP53RAB9ANPC1
SCHEMBL2920506 0.87 NAMPT (0.48) ADORA3ADORA2AADORA1RXFP1FOXO1
SCHEMBL2924078 0.87 KMT2A (0.47) ADORA3ADORA2AADORA1RXFP1FOXO1
SCHEMBL2914413 0.86 CCNA2 (0.40) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL2917812 0.86 ALPL (0.43) RXFP1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL2920582 0.85 ALDH1A1 (0.46) ADORA3ADORA2AADORA1RXFP1FOXO1
SCHEMBL2915649 0.85 KCNK3 (0.45) ADORA3ADORA2AADORA1RXFP1FOXO1
SCHEMBL2923770 0.84 KDM4E (0.41) RXFP1SMN1; SMN2TP53RAB9ANPC1

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 ADORA3 3789/4885ADORA2A 3303/4885ADORA1 3896/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ADORA3 3766/4885ADORA2A 3368/4885ADORA1 4014/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ADORA3 3789/4885ADORA2A 3303/4885ADORA1 3896/4885

“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.