SCHEMBL14349396

SCHEMBL14349396

c1ccc(CCc2noc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.47
▸ GRIN2B Q13224 8/20 0.45
▸ KCNH2 Q12809 4/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ MAPK1 P28482 1/20 0.39
▸ PAK1 Q13153 6/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ PTK2 Q05397 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL5660340 0.92 LMNA (0.45) SLC29A1GRIN2BKCNH2LMNAHPGDS
SCHEMBL5661252 0.85 HPGDS (0.49) GRIN2BKCNH2HPGDSPAK1CYP2D6
SCHEMBL8271773 0.84 HPGDS (0.43) GRIN2BKCNH2LMNAHPGDSPAK1
SCHEMBL8271778 0.84 MAPK1 (0.43) GRIN2BKCNH2LMNAHPGDSMAPK1
SCHEMBL14349393 0.83 PAK1 (0.45) GRIN2BKCNH2LMNAHPGDSMAPK1
SCHEMBL4310748 0.83 HPGDS (0.47) SLC29A1GRIN2BLMNAHPGDSMAPK1
SCHEMBL5657638 0.83 HPGDS (0.47) SLC29A1GRIN2BLMNAHPGDSMAPK1
SCHEMBL8271772 0.83 HPGDS (0.43) GRIN2BKCNH2HPGDSPAK1CYP2D6
SCHEMBL18331855 0.83 HPGDS (0.43) GRIN2BKCNH2HPGDSPAK1CYP2D6
SCHEMBL14349399 0.83 PAK1 (0.45) GRIN2BKCNH2HPGDSPAK1CYP2D6

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-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

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-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 SLC29A1 2958/4885GRIN2B 1/4885KCNH2 207/4885

“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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