SCHEMBL3781395

SCHEMBL3781395

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COP(=O)(O)CP(=O)(O)O)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.76
▸ P2RX1 P51575 4/20 0.76
▸ P2RX4 Q99571 2/20 0.76
▸ ENPP1 P22413 6/20 0.71
▸ NT5E P21589 2/20 0.71
▸ PLCG1 P19174 1/20 0.71
▸ PI4KA P42356 1/20 0.67
▸ PI4K2B Q8TCG2 1/20 0.67
▸ PI4K2A Q9BTU6 1/20 0.67
▸ PI4KB Q9UBF8 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.62
▸ P2RY11 Q96G91 2/20 0.61
▸ TSHR P16473 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ TRPM2 O94759 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
SCHEMBL22392998 0.91 P2RX3 (0.84) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL26361537 0.91 P2RX3 (0.84) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL22402648 0.91 P2RX3 (0.84) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL23922240 0.88 P2RX3 (0.97) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL14414863 0.88 P2RX3 (0.97) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL24145102 0.86 P2RX3 (0.87) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL27480257 0.86 PI4KA (0.76) P2RX3P2RX1P2RX4ENPP1NT5E
SCHEMBL16351390 0.86 ENPP1 (0.71) P2RX3P2RX1P2RX4ENPP1NT5E
SCHEMBL22402624 0.84 P2RX3 (0.70) P2RX3P2RX1P2RX4ENPP1NT5E
SCHEMBL23922243 0.84 P2RX3 (0.70) P2RX3P2RX1P2RX4ENPP1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2803357-B1 Angiogenesis inhibitors UNIV JOHNS HOPKINS (US) 2020-11-18 — — EP disclosed
US-9642865-B2 Angiogenesis inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-09 — — US disclosed
US-20150056267-A1 ANGIOGENESIS INHIBITORS UNIV JOHNS HOPKINS (US) 2015-02-26 — — US disclosed
US-20130101657-A1 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2013-04-25 — — US disclosed
US-20100330148-A1 MEHODS AND COMPOSITIONS FOR INHIBITING IMPDH-1 ISOFORM 1 THE JOHNS HOPKINS UNIVERSITY (US) 2010-12-30 — — US disclosed
WO-2007109363-A2 METHODS AND COMPOSITIONS FOR INHIBITING IMPDH ISOFORM 1 THE JOHNS HOPKINS UNIVERSITY (US) 2007-09-27 — — WO disclosed
EP-1765336-A2 ANGIOGENESIS INHIBITORS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-03-28 — — EP disclosed
WO-2006004795-A2 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-12 — — 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-20150056267-A1 ANGIOGENESIS INHIBITORS FLT1, VEGFA, FLT4 P2RX3 3585/4885P2RX1 3543/4885P2RX4 3786/4885
US-20100330148-A1 MEHODS AND COMPOSITIONS FOR INHIBITING IMPDH-1 ISOFORM 1 IMPDH1, IMPDH2, IMPA1 P2RX3 2092/4885P2RX1 1318/4885P2RX4 2554/4885
US-20130101657-A1 ANGIOGENESIS INHIBITORS FLT1, VEGFA, FLT4 P2RX3 3585/4885P2RX1 3543/4885P2RX4 3786/4885

“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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