SCHEMBL8030173

SCHEMBL8030173

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.50
FGFR1 P11362 6/20 0.48
SRC P12931 6/20 0.48
FGFR2 P21802 6/20 0.48
FGFR4 P22455 6/20 0.48
FGFR3 P22607 6/20 0.48
KDR P35968 6/20 0.48
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.40
BTK Q06187 1/20 0.39
DGAT1 O75907 1/20 0.39
CASP1 P29466 1/20 0.38
MAPK14 Q16539 2/20 0.38
HTT P42858 1/20 0.37
SCN9A Q15858 1/20 0.36
CNR1 P21554 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
SCHEMBL1691801 0.86 RIPK2 (0.52) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL8043778 0.85 FGFR1 (0.64) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL8035054 0.84 FGFR1 (0.60) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL8043562 0.84 RIPK2 (0.50) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL8045677 0.83 RIPK2 (0.52) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL8030758 0.81 FGFR1 (0.48) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL1691442 0.80 RIPK2 (0.63) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL8047290 0.78 RIPK2 (0.50) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL6475335 0.78 RIPK2 (0.52) RIPK2FGFR1SRCFGFR2FGFR4
SCHEMBL8046918 0.78 SRC (0.46) RIPK2FGFR1SRCFGFR2FGFR4

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 4088/4885FGFR1 3396/4885SRC 4772/4885

“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.