SCHEMBL18331855

SCHEMBL18331855

Oc1ccc(Cc2noc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.43
▸ PAK1 Q13153 15/20 0.38
▸ GRIN2B Q13224 4/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL8271780 0.93 HPGDS (0.43) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL14349399 0.91 PAK1 (0.45) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL5658584 0.91 PAK1 (0.46) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL14349445 0.91 PAK1 (0.45) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL8271772 0.91 HPGDS (0.43) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL5660340 0.91 LMNA (0.45) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL8271777 0.89 PAK1 (0.48) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL14349479 0.89 GRIN2B (0.51) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL8271774 0.89 HPGDS (0.41) HPGDSPAK1GRIN2BKCNH2CYP2D6
SCHEMBL8271775 0.87 PAK1 (0.44) HPGDSPAK1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367560-A1 Methods for Treating Parkinson's Disease UCB PHARMA, S.A. (BE) 2016-12-22 — — 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-20160367560-A1 Methods for Treating Parkinson's Disease ADORA2A, GRIN2A, GRIN3A HPGDS 2591/4885PAK1 1830/4885GRIN2B 5/4885

“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.

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