SCHEMBL5658584

SCHEMBL5658584

Cc1ccc(Cc2noc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 10/20 0.46
▸ HPGDS O60760 1/20 0.43
▸ GRIN2B Q13224 7/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ PDPK1 O15530 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
SCHEMBL8271772 0.93 HPGDS (0.43) PAK1HPGDSGRIN2BKCNH2CYP2D6
SCHEMBL8271780 0.91 HPGDS (0.43) PAK1HPGDSGRIN2BKCNH2CYP2D6
SCHEMBL14349445 0.91 PAK1 (0.45) PAK1HPGDSGRIN2BKCNH2CYP2D6
SCHEMBL14349399 0.91 PAK1 (0.45) PAK1HPGDSGRIN2BKCNH2CYP2D6
SCHEMBL18331855 0.91 HPGDS (0.43) PAK1HPGDSGRIN2BKCNH2CYP2D6
SCHEMBL5660340 0.91 LMNA (0.45) PAK1HPGDSGRIN2BKCNH2CYP1A2
SCHEMBL8271774 0.91 HPGDS (0.41) PAK1HPGDSGRIN2BKCNH2CYP1A2
SCHEMBL8271777 0.91 PAK1 (0.48) PAK1HPGDSGRIN2BKCNH2CYP2D6
SCHEMBL14349479 0.89 GRIN2B (0.51) PAK1HPGDSGRIN2BKCNH2CYP2D6
SCHEMBL14349427 0.88 GRIN2B (0.40) PAK1HPGDSGRIN2BKCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838530-B1 METHODS FOR TREATING PARKINSON'S DISEASE UCB BIOPHARMA SPRL (BE) 2017-04-05 — — EP disclosed
US-20160367560-A1 Methods for Treating Parkinson's Disease UCB PHARMA, S.A. (BE) 2016-12-22 — — US disclosed
US-9387212-B2 Methods for treating Parkinson's disease UCB BIOPHARMA SPRL (BE) 2016-07-12 — — US disclosed
US-9387212-B2 Methods for treating Parkinson's disease UCB BIOPHARMA SPRL (BE) 2016-07-12 — — US disclosed
US-20150157638-A1 Methods for Treating Parkinson's Disease UCB BIOPHARMA SPRL (BE) 2015-06-11 — — US disclosed
US-20150157638-A1 Methods for Treating Parkinson's Disease UCB BIOPHARMA SPRL (BE) 2015-06-11 — — US disclosed
EP-2838530-A1 METHODS FOR TREATING PARKINSON'S DISEASE UCB Pharma, S.A. (BE) 2015-02-25 — — EP disclosed
WO-2013156614-A1 METHODS FOR TREATING PARKINSON'S DISEASE UCB PHARMA S.A. (BE) 2013-10-24 — — WO disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 — — US disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 — — US disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 — — US disclosed
WO-2006017409-A2 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2006-02-16 — — 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 (3 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-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 PAK1 2143/4885HPGDS 1733/4885GRIN2B 1/4885
US-20150157638-A1 Methods for Treating Parkinson's Disease ADORA2A, GRIN2A, GRIN3A PAK1 1830/4885HPGDS 2591/4885GRIN2B 5/4885
US-20160367560-A1 Methods for Treating Parkinson's Disease ADORA2A, GRIN2A, GRIN3A PAK1 1830/4885HPGDS 2591/4885GRIN2B 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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