Sugi Predict

Sugi Predict / Compounds / SCHEMBL15426679

SCHEMBL15426679

SCHEMBL15426679

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(N[C@@H]3CC[C@@H](O)C3)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.62
▸ PI4K2B Q8TCG2 1/20 0.62
▸ PI4K2A Q9BTU6 1/20 0.62
▸ PI4KB Q9UBF8 1/20 0.62
▸ ADORA3 P0DMS8 4/20 0.58
▸ TSHR P16473 3/20 0.58
▸ ADORA1 P30542 3/20 0.58
▸ PMP22 Q01453 2/20 0.58
▸ ADORA2A P29274 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ ADORA2B P29275 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58
▸ SLC29A1 Q99808 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ HIF1A Q16665 1/20 0.58

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
SCHEMBL15425648 1.00 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL4649323 0.93 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5504612 0.90 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5507191 0.89 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL15144301 0.89 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL12200089 0.89 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL7735031 0.89 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5507293 0.89 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5508361 0.88 TSHR (0.70) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5504624 0.88 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158268-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 — — US disclosed
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-20140018314-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2014-01-16 — — 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 (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-20150080330-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C PI4KA 2449/4885PI4K2B 2948/4885PI4K2A 2186/4885
US-20140018314-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C PI4KA 2449/4885PI4K2B 2948/4885PI4K2A 2186/4885
US-20160158268-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C PI4KA 2449/4885PI4K2B 2948/4885PI4K2A 2186/4885

“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.