SCHEMBL2925498

SCHEMBL2925498

O=C(Nc1[nH]nc2c1CN(CCc1ccccc1)C2)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.52
ABCB1 P08183 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
BCHE P06276 1/20 0.44
PARP1 P09874 1/20 0.42
NTRK1 P04629 1/20 0.42
HTR1A P08908 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
PIN1 Q13526 2/20 0.41
CXCR3 P49682 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KMT2A Q03164 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL2917343 0.90 BCHE (0.52) DRD4BCHEPARP1NTRK1SLC6A12
SCHEMBL2916225 0.89 KCNH2 (0.44) DRD4ABCB1ABCG2NTRK1HTR1A
SCHEMBL2914297 0.87 DRD4 (0.42) DRD4ABCB1ABCG2NTRK1NPC1
SCHEMBL2918528 0.86 NTRK1 (0.40) ABCB1ABCG2BCHEPARP1NTRK1
SCHEMBL2924921 0.86 RAB9A (0.44) ABCB1ABCG2BCHENTRK1NPC1
SCHEMBL2923631 0.86 HTR1F (0.46) NTRK1HTR1ANPC1RAB9ACCNA2
SCHEMBL2920916 0.86 NPC1 (0.47) DRD4BCHENTRK1NPC1RAB9A
SCHEMBL2922376 0.85 NPC1 (0.46) NTRK1HTR1ANPC1RAB9AKMT2A
SCHEMBL2924248 0.85 ADORA2A (0.45) NTRK1NPC1RAB9ACXCR3KMT2A
SCHEMBL2922908 0.85 RAB9A (0.47) NTRK1HTR1ANPC1RAB9AKMT2A

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 DRD4 4884/4885ABCB1 983/4885ABCG2 1976/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 DRD4 4881/4885ABCB1 482/4885ABCG2 2038/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 DRD4 4884/4885ABCB1 983/4885ABCG2 1976/4885

“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.