SCHEMBL8041768

SCHEMBL8041768

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.50
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 13/20 0.43
NPC1 O15118 1/20 0.43
PTPN1 P18031 3/20 0.40
BTK Q06187 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
SCHEMBL8049817 0.89 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL8047290 0.84 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL8043562 0.84 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL8049319 0.84 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL8043800 0.84 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL8045963 0.83 MAPK14 (0.58) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL8041196 0.82 RIPK2 (0.51) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL8044057 0.81 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL8040355 0.81 RIPK2 (0.50) RIPK2RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL3830233 0.77 RIPK2 (0.71) RIPK2RAB9ALMNASMN1; SMN2MAPK14

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 4088/4885RAB9A 87/4885LMNA 2353/4885

“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.