SCHEMBL2913011

SCHEMBL2913011

O=C(CCN1CCCCC1)Nc1[nH]nc2c1CN(Cc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
APP P05067 1/20 0.56
BCHE P06276 1/20 0.56
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 2/20 0.51
HRH1 P35367 1/20 0.51
KMT2A Q03164 3/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
LMNA P02545 2/20 0.48
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MEN1 O00255 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL2913989 0.91 ACHE (0.52) ACHEAPPBCHEALDH1A1TSHR
SCHEMBL2922736 0.84 ACHE (0.49) ACHEAPPBCHEALDH1A1TSHR
SCHEMBL2915603 0.84 BCHE (0.48) ACHEAPPBCHE
SCHEMBL2922781 0.84 ACHE (0.51) ACHEAPPBCHEALDH1A1TSHR
SCHEMBL2918947 0.83 BCHE (0.46) ACHEAPPBCHEALDH1A1TSHR
SCHEMBL2922079 0.82 ALDH1A1 (0.58) ACHEALDH1A1POLBKMT2ALMNA
SCHEMBL2913016 0.82 ALDH1A1 (0.51) ACHEAPPBCHEALDH1A1TSHR
SCHEMBL2913979 0.81 ACHE (0.49) ACHEAPPBCHEALDH1A1POLB
SCHEMBL2918051 0.80 BRS3 (0.48) ACHEAPPBCHEALDH1A1TSHR
SCHEMBL2920684 0.80 GAA (0.51) ACHEAPPBCHEPOLBLMNA

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 ACHE 4788/4885APP 2834/4885BCHE 4120/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ACHE 4822/4885APP 2915/4885BCHE 4221/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ACHE 4788/4885APP 2834/4885BCHE 4120/4885

“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.