SCHEMBL12281130

SCHEMBL12281130

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.61
PI4K2B Q8TCG2 2/20 0.61
PI4K2A Q9BTU6 2/20 0.61
PI4KB Q9UBF8 2/20 0.61
AHCY P23526 6/20 0.59
RXFP1 Q9HBX9 1/20 0.49
ADORA2A P29274 2/20 0.47
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX4 Q99571 1/20 0.47
DPP4 P27487 1/20 0.46
MEN1 O00255 1/20 0.46
SLC28A1 O00337 1/20 0.46
MAP3K7 O43318 1/20 0.46
SLC28A2 O43868 1/20 0.46
GAPDH P04406 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPK1 P28482 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 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
SCHEMBL864471 1.00 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL12280533 0.91 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL29523112 0.87 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL22787607 0.87 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL2418406 0.84 AHCY (0.57) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL12321456 0.83 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL12280353 0.83 AHCY (0.59) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL18589146 0.81 ADK (0.48) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL18297504 0.81 ADK (0.48) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL19050215 0.80 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBAHCY

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-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT BAYLOR COLLEGE OF MEDICINE (US) 2016-06-16 US disclosed
US-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT BAYLOR COLLEGE OF MEDICINE (US) 2016-06-16 US disclosed
WO-2015013256-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT BAYLOR COLLEGE OF MEDICINE (US) 2015-01-29 WO disclosed
US-20110237606-A1 3-Deazaneplanocin Derivatives AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH 2011-09-29 US disclosed
US-20110237606-A1 3-Deazaneplanocin Derivatives AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH 2011-09-29 US disclosed
WO-2010036213-A1 3-DEAZANEPLANOCIN DERIVATIVES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-01 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 (2 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-20110237606-A1 3-Deazaneplanocin Derivatives EZH2, SUZ12, DAZAP1 PI4KA 1765/4885PI4K2B 1727/4885PI4K2A 2102/4885
US-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT DOT1L, CARM1, NSD1 PI4KA 1750/4885PI4K2B 1590/4885PI4K2A 2080/4885

“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.