SCHEMBL2917422

SCHEMBL2917422

CC(c1ccccc1)N1Cc2n[nH]c(NC(=O)CCC(=O)c3ccccc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
PARP1 P09874 3/20 0.37
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PAK4 O96013 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2922476 0.87 ALDH1A1 (0.49) PARP1KMT2AMAPTHPGDMEN1
SCHEMBL2916222 0.85 CDK2 (0.42) HDAC4HDAC1KMT2AHPGDLMNA
SCHEMBL2922898 0.85 CCNA2 (0.45) SMN1; SMN2HDAC4HDAC1HPGDLMNA
SCHEMBL2913979 0.83 ACHE (0.49) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL2917107 0.83 MAPK1 (0.42) HDAC4HDAC1MAPTALDH1A1TDP1
SCHEMBL2925652 0.82 PKM (0.39) NAMPTSMN1; SMN2PARP1MAPTHPGD
SCHEMBL2917686 0.82 GSK3A (0.42) HDAC4HDAC1KMT2AMAPTHPGD
SCHEMBL2919435 0.81 CCNA2 (0.48) NAMPTSMN1; SMN2PARP1KMT2AMAPT
SCHEMBL2915699 0.81 CCNA2 (0.45) LMNAALDH1A1
SCHEMBL2923831 0.81 NAMPT (0.42) NAMPTSMN1; SMN2PARP1HDAC4HDAC1

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 NAMPT 1064/4885SMN1; SMN2 3514/4885PARP1 891/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 NAMPT 1162/4885SMN1; SMN2 2568/4885PARP1 949/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 NAMPT 1064/4885SMN1; SMN2 3514/4885PARP1 891/4885

“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.