SCHEMBL2919290

SCHEMBL2919290

CC(=O)Nc1c2c(nn1-c1ccc(N3CCCC3=O)cc1)CN(NC(=O)NC(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ACACB O00763 1/20 0.39
POLB P06746 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
SLC29A1 Q99808 1/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
PHGDH O43175 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.36
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35

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
SCHEMBL2957861 0.88 USP2 (0.41) GAACYP1A2POLBF2F10
SCHEMBL2925402 0.86 MEN1 (0.43) GAACYP1A2POLBALDH1A1KDM4E
SCHEMBL2925302 0.85 USP2 (0.45) GAACYP1A2POLBF2F10
SCHEMBL2914369 0.78 CCNA2 (0.45) CYP1A2ALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL2922604 0.75 ALDH1A1 (0.45) F10RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL2923240 0.75 F10 (0.43) GAAF10RAB9AALDH1A1SMN1; SMN2
SCHEMBL2916745 0.75 RAB9A (0.46) CYP1A2CYP2D6CYP2C9POLBRAB9A
SCHEMBL2916752 0.74 ALDH1A1 (0.42) GAACYP1A2CYP2C9POLBRAB9A
SCHEMBL4245671 0.73 CYP1A2 (0.43) GAACYP1A2POLBF2F10
SCHEMBL2922935 0.71 MAPK1 (0.40) GAACYP1A2POLBRAB9AALDH1A1

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 GAA 1951/4885CYP1A2 2383/4885CYP2D6 3104/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 GAA 1829/4885CYP1A2 1707/4885CYP2D6 2318/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 GAA 1951/4885CYP1A2 2383/4885CYP2D6 3104/4885

“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.