SCHEMBL4903796

SCHEMBL4903796

CNCc1cc(-c2ccccc2)nn1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 2/20 0.56
HSD11B1 P28845 1/20 0.55
PDE10A Q9Y233 1/20 0.46
PHGDH O43175 2/20 0.44
BRD4 O60885 1/20 0.42
MPO P05164 1/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
RAB9A P51151 1/20 0.41
PLA2G7 Q13093 1/20 0.40
MGLL Q99685 1/20 0.40
ABHD6 Q9BV23 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
SCHEMBL10275021 0.81 CYP11B1 (0.57) CYP11B1CYP11B2HSD11B1PDE10APHGDH
SCHEMBL27549688 0.79 CYP11B1 (0.56) CYP11B1CYP11B2HSD11B1PDE10APHGDH
SCHEMBL15635313 0.79 CYP11B1 (0.57) CYP11B1CYP11B2HSD11B1PDE10APHGDH
SCHEMBL10246572 0.78 CYP11B1 (0.55) CYP11B1CYP11B2HSD11B1PDE10AMPO
SCHEMBL10190913 0.77 CYP11B1 (0.54) CYP11B1CYP11B2HSD11B1PDE10APHGDH
SCHEMBL17069344 0.77 CYP11B1 (0.54) CYP11B1CYP11B2HSD11B1PDE10APHGDH
SCHEMBL8037981 0.75 IDO1 (0.45) CYP11B1CYP11B2HSD11B1PDE10APHGDH
SCHEMBL13098202 0.74 CYP11B1 (0.51) CYP11B1CYP11B2HSD11B1PDE10AMAPT
SCHEMBL4133477 0.74 MAPT (0.55) CYP11B1CYP11B2HSD11B1PHGDHBRD4
SCHEMBL13285586 0.71 CYP11B1 (0.43) CYP11B1CYP11B2HSD11B1PDE10APHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B CYP11B1 1609/4885CYP11B2 2164/4885HSD11B1 652/4885

“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.