SCHEMBL2918684

SCHEMBL2918684

O=C(C=Cc1ccncc1)Nc1[nH]nc2c1CN(CCc1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
HDAC2 Q92769 3/20 0.39
MMP1 P03956 1/20 0.38
POLB P06746 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
RECQL P46063 1/20 0.38
HDAC1 Q13547 7/20 0.38
HDAC8 Q9BY41 5/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL2916085 0.94 ABCB1 (0.44) ABCB1HDAC2MMP1POLBMMP2
SCHEMBL2922762 0.90 HDAC1 (0.46) DRD2HDAC2HDAC1HDAC8HDAC6
SCHEMBL2922756 0.90 HDAC1 (0.46) DRD2HDAC2HDAC1HDAC8HDAC6
SCHEMBL2921736 0.90 NPC1 (0.43) HTR1ADRD2HDAC1HDAC8KMT2A
SCHEMBL2922087 0.86 DRD2 (0.38) ABCB1DRD2HDAC2MMP1POLB
SCHEMBL2913887 0.86 SMN1; SMN2 (0.47) POLBRECQLLMNAMAPTSMN1; SMN2
SCHEMBL2920558 0.84 HDAC1 (0.49) DRD2HDAC2MMP1MMP2MMP9
SCHEMBL2920553 0.84 HDAC1 (0.49) DRD2HDAC2MMP1MMP2MMP9
SCHEMBL2922843 0.83 MMP1 (0.43) HDAC2MMP1POLBMMP2MMP9
SCHEMBL2922837 0.83 MMP1 (0.43) HDAC2MMP1POLBMMP2MMP9

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 ABCB1 983/4885HTR1A 4510/4885DRD2 4859/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ABCB1 482/4885HTR1A 4233/4885DRD2 4861/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ABCB1 983/4885HTR1A 4510/4885DRD2 4859/4885

“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.