SCHEMBL16256550

SCHEMBL16256550

Cc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CC(C)(C)C)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 1/20 0.54
▸ AHCY P23526 2/20 0.52
▸ ADORA1 P30542 5/20 0.51
▸ DNPH1 O43598 1/20 0.51
▸ PRKAB2 O43741 1/20 0.51
▸ TRPM2 O94759 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ P2RY2 P41231 1/20 0.51
▸ P2RY1 P47900 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.51

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
SCHEMBL16579243 0.87 MARS1 (0.58) MARS1ADORA1DNPH1PRKAB2TRPM2
SCHEMBL16256555 0.85 MARS1 (0.61) MARS1ADORA1DNPH1PRKAB2TRPM2
SCHEMBL14853916 0.83 P2RY1 (0.64) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL15061399 0.81 ADORA1 (0.69) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL16575066 0.81 ADORA1 (0.69) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL12226386 0.81 ADORA1 (0.69) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL12200119 0.81 ADORA1 (0.69) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL12332479 0.81 ADORA1 (0.69) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL15425649 0.81 ADORA1 (0.69) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL16256444 0.81 ADORA1 (0.69) ADORA1TAS1R3TAS1R1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289383-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2016-03-22 — — US disclosed
US-20150080330-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION 2015-03-19 — — US disclosed
US-8895530-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2014-11-25 — — 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-20150080330-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C MARS1 3531/4885AHCY 9/4885ADORA1 18/4885

“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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