SCHEMBL744107

SCHEMBL744107

COCCCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.50
CYSLTR1 Q9Y271 4/20 0.47
CYSLTR2 Q9NS75 3/20 0.47
GPBAR1 Q8TDU6 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.44

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
SCHEMBL6798820 0.83 CYSLTR2 (0.53) PDE10ACYSLTR1CYSLTR2CYP1A2
SCHEMBL2334595 0.81 CYSLTR2 (0.52) PDE10ACYSLTR1CYSLTR2CYP1A2
SCHEMBL538491 0.80 GPBAR1 (0.54) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL13017040 0.80 PDE10A (0.46) PDE10ACYSLTR1CYSLTR2GPBAR1ALDH1A1
SCHEMBL2913941 0.79 PDE10A (0.61) PDE10ACYSLTR1CYSLTR2CYP1A2
SCHEMBL27539069 0.79 PDE10A (0.44) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL13017043 0.79 PDE10A (0.44) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL860157 0.79 KCNH2 (0.58) PDE10ACYSLTR1CYSLTR2GPBAR1ALDH1A1
Hydrochloric Acid SCHEMBL27600363 0.79 GPBAR1 (0.52) PDE10ACYSLTR1CYSLTR2GPBAR1ALDH1A1
Bromide SCHEMBL27600369 0.79 GPBAR1 (0.52) PDE10ACYSLTR1CYSLTR2GPBAR1ALDH1A1

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-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 US 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 PDE10A 2419/4885CYSLTR1 2259/4885CYSLTR2 2460/4885

“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.