SCHEMBL2922445

SCHEMBL2922445

CC(c1ccccc1)N1Cc2n[nH]c(NC(=O)c3ccccc3O)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.43
KDM4E B2RXH2 7/20 0.43
HSD17B10 Q99714 7/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 6/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
TP53 P04637 5/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
ALPL P05186 1/20 0.38
NPC1 O15118 7/20 0.37
RAB9A P51151 6/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL2917142 0.90 HPGD (0.40) LMNAHPGDALDH1A1HTTMEN1
SCHEMBL2917698 0.90 ALPL (0.36) KDM4EALDH1A1ALPLNPC1RAB9A
SCHEMBL2914990 0.89 BDKRB1 (0.46) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL2922855 0.89 NPC1 (0.46) LMNAKDM4EHSD17B10ALDH1A1HTT
SCHEMBL2916222 0.87 CDK2 (0.42) LMNAHPGDALDH1A1HTTKMT2A
SCHEMBL2924011 0.87 ALDH1A1 (0.46) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL2916841 0.87 NPC1 (0.39) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL2917107 0.85 MAPK1 (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL2917686 0.84 GSK3A (0.42) LMNAKDM4EHSD17B10HPGDALDH1A1
SCHEMBL2914291 0.83 HDAC4 (0.41) MEN1KMT2APOLBNPC1RAB9A

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 LMNA 2208/4885KDM4E 2358/4885HSD17B10 3053/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 LMNA 3028/4885KDM4E 3487/4885HSD17B10 1865/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 LMNA 2208/4885KDM4E 2358/4885HSD17B10 3053/4885

“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.