SCHEMBL2924039

SCHEMBL2924039

O=C(O)c1ccc2ccccc2c1C(=O)Nc1[nH]nc2c1CN(C(=O)NCc1ccccc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PIP5K1C O60331 1/20 0.37
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 2/20 0.36
MAPK1 P28482 1/20 0.36
TPSAB1 Q15661 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2915062 0.92 CCNA2 (0.37) KDM4EALDH1A1MAPK1CCNA2CDK2
SCHEMBL2922185 0.88 FAAH (0.40) NAMPTCCNA2CDK2CCNA1NPSR1
SCHEMBL2922913 0.87 BCHE (0.42) KDM4EHDAC6PIP5K1CALDH1A1HDAC3
SCHEMBL2919525 0.86 GAA (0.36) ALDH1A1CCNA2CDK2CCNA1
SCHEMBL2924364 0.86 CCNA2 (0.38) ALDH1A1CCNA2CDK2CCNA1
SCHEMBL2924403 0.86 CCNA2 (0.42) CCNA2CDK2CCNA1
SCHEMBL2925497 0.85 DRD4 (0.40) KDM4EALDH1A1MAPK1
SCHEMBL2917348 0.84 BCHE (0.40) KDM4EALDH1A1MAPK1KMT2ANPSR1
SCHEMBL2920111 0.83 NTRK1 (0.44) KDM4EHDAC6ALDH1A1NAMPTTPSAB1
SCHEMBL2924033 0.83 NR1H4 (0.46) HDAC6PIP5K1CNAMPTTPSAB1CCNA2

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 KDM4E 2358/4885HDAC6 619/4885PIP5K1C 224/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 KDM4E 3487/4885HDAC6 300/4885PIP5K1C 255/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KDM4E 2358/4885HDAC6 619/4885PIP5K1C 224/4885

“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.