SCHEMBL8046918

SCHEMBL8046918

CCOc1ccc(Cl)c(-n2ncc(C(N)=O)c2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.46
FGFR1 P11362 5/20 0.46
FGFR2 P21802 5/20 0.46
FGFR4 P22455 5/20 0.46
FGFR3 P22607 5/20 0.46
KDR P35968 5/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
RIPK2 O43353 1/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CHRNA7 P36544 1/20 0.41
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL8030758 0.87 FGFR1 (0.48) SRCFGFR1FGFR2FGFR4FGFR3
SCHEMBL8047250 0.81 HTT (0.45) SRCFGFR1FGFR2FGFR4FGFR3
SCHEMBL8035054 0.80 FGFR1 (0.60) SRCFGFR1FGFR2FGFR4FGFR3
SCHEMBL1691801 0.80 RIPK2 (0.52) SRCFGFR1FGFR2FGFR4FGFR3
SCHEMBL8043778 0.79 FGFR1 (0.64) SRCFGFR1FGFR2FGFR4FGFR3
SCHEMBL8030173 0.78 RIPK2 (0.50) SRCFGFR1FGFR2FGFR4FGFR3
SCHEMBL8043562 0.78 RIPK2 (0.50) SRCFGFR1FGFR2FGFR4FGFR3
SCHEMBL8039710 0.78 KMT2A (0.43) HTTRAB9ALMNANPC1ALDH1A1
SCHEMBL8045677 0.77 RIPK2 (0.52) SRCFGFR1FGFR2FGFR4FGFR3
SCHEMBL1691845 0.76 MAPK14 (0.56) RAB9ASMN1; SMN2LMNARIPK2NPC1

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 SRC 4772/4885FGFR1 3396/4885FGFR2 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.