SCHEMBL626803

SCHEMBL626803

NC(=O)c1cnn(C2CCC(F)(F)CC2)c1N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.40
PARP2 Q9UGN5 4/20 0.40
RIPK2 O43353 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38
MAPK8 P45983 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
PDE9A O76083 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL28857065 0.89 KDM5A (0.43) PARP1PARP2TRPV4PDE9AKDM5A
SCHEMBL17604090 0.86 RIPK2 (0.46) RIPK2JAK2JAK1TYK2JAK3
SCHEMBL1717428 0.83 RIPK2 (0.44) PARP1RIPK2JAK2JAK1TYK2
SCHEMBL1164192 0.83 RIPK2 (0.44) PARP1RIPK2JAK2JAK1TYK2
SCHEMBL28051516 0.82 PARP1 (0.41) PARP1PARP2RIPK2JAK2JAK1
SCHEMBL6346129 0.82 RIPK2 (0.41) RIPK2JAK2JAK1TYK2JAK3
SCHEMBL19193717 0.82 PARP1 (0.39) PARP1PARP2CYP2D6CYP2B6JAK2
SCHEMBL2078467 0.82 RIPK2 (0.43) PARP1RIPK2JAK2JAK1TYK2
SCHEMBL22042843 0.81 LMNA (0.52) ALOX15TSHR
SCHEMBL1717672 0.79 RIPK2 (0.41) RIPK2JAK2JAK1TYK2JAK3

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-2603511-B1 6-CYCLOALKYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-03-15 EP disclosed
EP-3053924-A1 6-CYCLOALKYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-10 EP disclosed
US-9328120-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-03 US disclosed
EP-2675806-B1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-08-05 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
EP-2675807-B1 6-CYCLOBUTYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-04-22 EP disclosed
US-20150025088-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
US-8912201-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
WO-2011018495-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 WO disclosed
CN-101687876-A amino-heterocyclic compounds PFIZER 2010-03-31 CN disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
EP-2152712-A1 AMINO-HETEROCYCLIC COMPOUNDS Pfizer Inc. (US) 2010-02-17 EP disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
WO-2008139293-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2008-11-20 WO 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 (2 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-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A PARP1 3175/4885PARP2 4308/4885RIPK2 3762/4885
US-20150025088-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE2A PARP1 2860/4885PARP2 3699/4885RIPK2 4692/4885

“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.