SCHEMBL2922004

SCHEMBL2922004

O=C(Nc1[nH]nc2c1CN(C(=O)c1ccccc1)CC2)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AURKA O14965 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
GRM5 P41594 2/20 0.49
PTGS1 P23219 1/20 0.44
MEN1 O00255 1/20 0.43
KCNK3 O14649 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM1 Q13255 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
KDR P35968 1/20 0.42
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 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
SCHEMBL2920398 0.90 TACR3 (0.47) AURKACCNA2CDK2CCNA1GRM5
SCHEMBL2925083 0.90 AURKA (0.46) AURKACCNA2CDK2CCNA1PTGS1
SCHEMBL2918507 0.88 AURKA (0.46) ALDH1A1HPGDSMN1; SMN2AURKACCNA2
SCHEMBL2922776 0.86 NPC1 (0.48) ALDH1A1SMN1; SMN2GRM5PTGS1MEN1
SCHEMBL2920248 0.85 CCNA2 (0.48) CCNA2CDK2CCNA1GRM5KCNK3
SCHEMBL2921397 0.83 MEN1 (0.52) ALDH1A1SMN1; SMN2AURKACCNA2CDK2
SCHEMBL2924080 0.82 SLC6A7 (0.43) ALDH1A1SMN1; SMN2AURKACCNA2CDK2
SCHEMBL2913508 0.82 AURKA (0.50) HPGDAURKACCNA2CDK2CCNA1
SCHEMBL2919482 0.82 AURKA (0.50) ALDH1A1HPGDAURKACCNA2CDK2
SCHEMBL2919341 0.82 AURKA (0.48) ALDH1A1HPGDSMN1; SMN2AURKACCNA2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
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
JP-2004505977-A 2004-02-26 JP 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
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO 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-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
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO 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 (2 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 ALDH1A1 4090/4885HPGD 1882/4885SMN1; SMN2 3514/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885HPGD 1882/4885SMN1; 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.