SCHEMBL13625892

SCHEMBL13625892

Nc1nc(CC2CCN(C(=O)OCc3ccccc3)CC2)nc2c1ncn2CO[C@H](C(=O)NC1CC1)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 9/20 0.40
▸ CYP2D6 P10635 4/20 0.38
▸ CYP2C9 P11712 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ ADORA1 P30542 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ FAAH O00519 1/20 0.35

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
SCHEMBL13625766 0.94 GRIN2B (0.35) GRIN2BCYP2D6CYP2C9CYP3A4ADORA1
SCHEMBL8932185 0.93 GRIN2B (0.41) GRIN2BADORA1
SCHEMBL13625769 0.91 GRIN2B (0.40) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL14393617 0.91 GRIN2B (0.32) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL14393604 0.90 MGLL (0.33) —
SCHEMBL13625945 0.90 MGLL (0.33) —
SCHEMBL14265270 0.88 YAP1 (0.34) GRIN2BADORA1
SCHEMBL8932187 0.88 ADORA2A (0.35) CYP3A4SMN1; SMN2
SCHEMBL13625725 0.86 ADORA2A (0.32) —
SCHEMBL13625864 0.85 ADORA2A (0.33) —

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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 — — 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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 GRIN2B 453/4885CYP2D6 1308/4885CYP2C9 1413/4885

“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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