SCHEMBL8043778

SCHEMBL8043778

NC(=O)c1cnn(-c2cc(O)ccc2Cl)c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.64
SRC P12931 6/20 0.64
FGFR2 P21802 6/20 0.64
FGFR4 P22455 6/20 0.64
FGFR3 P22607 6/20 0.64
KDR P35968 6/20 0.64
RIPK2 O43353 1/20 0.51
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.41
MAPK14 Q16539 4/20 0.39
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 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 0.87 RIPK2 (0.52) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL8043562 0.85 RIPK2 (0.50) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL8030173 0.85 RIPK2 (0.50) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL8035054 0.85 FGFR1 (0.60) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL8045677 0.84 RIPK2 (0.52) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL8030758 0.82 FGFR1 (0.48) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL1691442 0.81 RIPK2 (0.63) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL6475335 0.79 RIPK2 (0.52) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL8046918 0.79 SRC (0.46) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL8044057 0.77 RIPK2 (0.50) FGFR1SRCFGFR2FGFR4FGFR3

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 FGFR1 3396/4885SRC 4772/4885FGFR2 4838/4885

“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.