SCHEMBL2920561

SCHEMBL2920561

NC(=O)N1Cc2n[nH]c(NC(=O)c3cccc4ccccc34)c2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.43
MMP3 P08254 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 1/20 0.41
DEGS1 O15121 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ENPP2 Q13822 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PLK1 P53350 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL2913220 0.89 AURKA (0.43) MMP3HDAC8ALDH1A1DEGS1NPC1
SCHEMBL2924668 0.86 FAAH (0.44) TMPRSS2ALDH1A1DEGS1NPC1RAB9A
SCHEMBL2921847 0.85 KMT2A (0.42) ALDH1A1DEGS1NPC1RAB9AKDM4E
SCHEMBL2923770 0.85 KDM4E (0.41) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2919275 0.85 SMN1; SMN2 (0.43) TMPRSS2MMP3HDAC8ALDH1A1DEGS1
SCHEMBL2924370 0.85 GAA (0.39) ALDH1A1DEGS1NPC1RAB9AENPP2
SCHEMBL2924364 0.85 CCNA2 (0.38) TMPRSS2ALDH1A1MAPTPARP1CCNA2
SCHEMBL2922702 0.84 NPC1 (0.47) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2916145 0.84 CCNA2 (0.43) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2917812 0.84 ALPL (0.43) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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 TMPRSS2 3046/4885MMP3 4620/4885HDAC8 946/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 TMPRSS2 2416/4885MMP3 4560/4885HDAC8 850/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 TMPRSS2 3046/4885MMP3 4620/4885HDAC8 946/4885

“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.