SCHEMBL3637334

SCHEMBL3637334

CNc1ncnc2c1ncn2[C@H]1CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
P2RY1 P47900 5/20 0.58
P2RY2 P41231 2/20 0.58
P2RX3 P56373 4/20 0.58
P2RX2 Q9UBL9 4/20 0.58
GPR17 Q13304 1/20 0.58
ENPP1 P22413 2/20 0.58
ADORA3 P0DMS8 1/20 0.57
P2RX4 Q99571 1/20 0.57
P2RY6 Q15077 1/20 0.55
P2RY12 Q9H244 1/20 0.55
DTYMK P23919 2/20 0.54
P2RX1 P51575 1/20 0.53

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
SCHEMBL29664985 1.00 POLB (0.61) POLBP2RY1P2RY2P2RX3P2RX2
SCHEMBL1064092 1.00 POLB (0.61) POLBP2RY1P2RY2P2RX3P2RX2
SCHEMBL15721195 1.00 POLB (0.61) POLBP2RY1P2RY2P2RX3P2RX2
SCHEMBL26779529 0.92 P2RX3 (0.64) POLBP2RY1P2RY2P2RX3P2RX2
SCHEMBL30381713 0.92 POLB (0.62) POLBP2RY1P2RY2P2RX3P2RX2
SCHEMBL31685679 0.92 ADORA3 (0.62) POLBP2RY1ENPP1ADORA3
SCHEMBL16203365 0.88 POLB (0.64) POLBP2RY1P2RY2P2RX3P2RX2
SCHEMBL29465233 0.87 POLB (0.65) POLBP2RY1P2RY2P2RX3P2RX2
SCHEMBL245486 0.87 POLB (0.65) POLBP2RY1P2RY2P2RX3P2RX2
SCHEMBL1763078 0.87 POLB (0.65) POLBP2RY1P2RY2P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034677-B2 Coumarin-based compounds and related methods BIOSEARCH TECHNOLOGIES, INC. (US) 2021-06-15 US disclosed
US-20170015652-A1 Coumarin-based compounds and related methods BIOSEARCH TECHNOLOGIES, INC. 2017-01-19 US disclosed
US-8524898-B2 Proton acceptor iminium/carbocation-type coupling agents LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2013-09-03 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
EP-2170822-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS Luxembourg Bio Technologies Ltd. (IL) 2010-04-07 EP disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 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 (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-11034677-B2 Coumarin-based compounds and related methods HCCS, FBL, COIL POLB 119/4885P2RY1 4441/4885P2RY2 4580/4885
US-20170015652-A1 Coumarin-based compounds and related methods HCCS, FBL, COIL POLB 119/4885P2RY1 4441/4885P2RY2 4580/4885
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS PHAX, GIPR, IAPP POLB 156/4885P2RY1 407/4885P2RY2 721/4885

“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.