SCHEMBL8047290

SCHEMBL8047290

NC(=O)c1cnn(-c2cc(Cl)ccc2Br)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.50
TSHR P16473 1/20 0.49
RAB9A P51151 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN9A Q15858 4/20 0.43
HTT P42858 1/20 0.42
SCN5A Q14524 2/20 0.41
NPC1 O15118 1/20 0.40
PTPN1 P18031 2/20 0.39
FGFR1 P11362 3/20 0.39
SRC P12931 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR3 P22607 3/20 0.39
KDR P35968 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 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
SCHEMBL1691801 0.86 RIPK2 (0.52) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL8041768 0.84 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2NPC1
SCHEMBL8043800 0.84 RIPK2 (0.50) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL8049323 0.84 SCN9A (0.54) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL6475335 0.83 RIPK2 (0.52) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL8034944 0.81 SCN9A (0.56) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL8030173 0.78 RIPK2 (0.50) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL2804588 0.77 RIPK2 (0.71) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL2834342 0.76 RIPK2 (0.70) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL8049817 0.76 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2SCN9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
WO-2009068617-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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 (1 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-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C RIPK2 4088/4885TSHR 3766/4885RAB9A 87/4885

“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.