SCHEMBL13435089

SCHEMBL13435089

CC1(C)OC2[C@@H](O1)[C@@H](CN)O[C@H]2n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 6/20 0.56
▸ PI4KA P42356 1/20 0.54
▸ PI4K2B Q8TCG2 1/20 0.54
▸ PI4K2A Q9BTU6 1/20 0.54
▸ PI4KB Q9UBF8 1/20 0.54
▸ PRMT6 Q96LA8 1/20 0.51
▸ P2RX1 P51575 1/20 0.48
▸ P2RX3 P56373 1/20 0.48
▸ P2RX4 Q99571 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ BMPR1B O00238 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL11992637 1.00 P2RY12 (0.56) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL14113266 1.00 P2RY12 (0.56) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL24687158 1.00 P2RY12 (0.56) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL22402681 0.92 PI4KA (0.62) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL21504639 0.92 PI4KA (0.52) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL29444514 0.92 PI4KA (0.62) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL16378775 0.92 PI4KA (0.62) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL22601403 0.92 PI4KA (0.62) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL30827092 0.92 PI4KA (0.62) P2RY12PI4KAPI4K2BPI4K2API4KB
SCHEMBL1097616 0.92 PI4KA (0.62) P2RY12PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 — — US disclosed
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS 2015-08-20 — — US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 — — US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 — — US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 — — US disclosed
WO-2007022506-A2 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2007-02-22 — — WO disclosed
WO-2007022470-A2 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE ALNYLAM PHARMACEUTICALS, INC. (US) 2007-02-22 — — 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 (4 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-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B P2RY12 4418/4885PI4KA 3279/4885PI4K2B 2847/4885
US-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA P2RY12 3442/4885PI4KA 2920/4885PI4K2B 2760/4885
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA P2RY12 3442/4885PI4KA 2920/4885PI4K2B 2760/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA P2RY12 3442/4885PI4KA 2920/4885PI4K2B 2760/4885

“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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