SCHEMBL2920194

SCHEMBL2920194

O=C(Nc1[nH]nc2c1CN(S(=O)(=O)Cc1ccccc1)C2)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
NTRK1 P04629 2/20 0.42
BCHE P06276 1/20 0.41
PIN1 Q13526 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR1H4 Q96RI1 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
DRD4 P21917 2/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
GPR27 Q9NS67 1/20 0.39
CCKBR P32239 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL2914214 0.89 NTRK1 (0.42) NTRK1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2921460 0.87 SMN1; SMN2 (0.42) PARP1NTRK1NPC1RAB9ANR1H4
SCHEMBL2916667 0.86 LMNA (0.41) NPC1RAB9AALDH1A1TP53
SCHEMBL2921797 0.86 NTRK1 (0.42) NTRK1NPC1RAB9AALDH1A1CCNA2
SCHEMBL2921189 0.86 KMT2A (0.43) PARP1NTRK1KDM4EALDH1A1NPSR1
SCHEMBL2919755 0.86 KMT2A (0.41) NTRK1BCHENPC1RAB9AKDM4E
SCHEMBL2917089 0.86 RAB9A (0.46) NTRK1BCHENPC1RAB9A
SCHEMBL2923128 0.86 NPC1 (0.45) PARP1NTRK1NPC1RAB9AKDM4E
SCHEMBL2922202 0.86 KMT2A (0.48) NTRK1NPC1RAB9AALDH1A1NPSR1
SCHEMBL2919737 0.86 NTRK1 (0.45) NTRK1NPC1RAB9AKDM4ETP53

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 PARP1 891/4885NTRK1 2610/4885BCHE 4120/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 PARP1 949/4885NTRK1 4175/4885BCHE 4221/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 PARP1 891/4885NTRK1 2610/4885BCHE 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.