SCHEMBL3913281

SCHEMBL3913281

O=C=Nc1cccc(B(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MGLL Q99685 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5049590 0.81 MIF (0.48) ENPP2KDM4EALDH1A1MGLL
SCHEMBL10615043 0.79 TDP1 (0.54) ALDH1A1MAPK1TDP1
SCHEMBL27873 0.79 TDP1 (0.54) ALDH1A1MAPK1TDP1
SCHEMBL8069515 0.78 ENPP2 (0.50) ENPP2KDM4EALDH1A1MGLL
SCHEMBL27621561 0.77 TDP1 (0.52) ALDH1A1MAPK1TDP1
SCHEMBL55943 0.75 TSHR (0.50) ENPP2KDM4EMGLLMAPK1TDP1
Ethylene SCHEMBL10425506 0.74 TDP1 (0.50) ALDH1A1MAPK1TDP1
SCHEMBL9460699 0.74 CYP3A4 (0.46) ALDH1A1MAPK1TDP1
SCHEMBL115285 0.74 NPC1 (0.46) MAPK1TDP1
SCHEMBL30365208 0.73 TDP1 (0.48) ALDH1A1MAPK1TDP1

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-20160083706-A1 BORONATE-MEDIATED DELIVERY OF MOLECULES INTO CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 — — US disclosed
US-9234048-B2 Boronate-mediated delivery of molecules into cells WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-01-12 — — US disclosed
US-20130196433-A1 Boronate-Mediated Delivery of Molecules into Cells WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-08-01 — — US disclosed
EP-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 — — EP disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 — — WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 — — 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 (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-20130196433-A1 Boronate-Mediated Delivery of Molecules into Cells BCAP31, PHAX, BTD ENPP2 2234/4885KDM4E 2806/4885ALDH1A1 4591/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 ENPP2 1003/4885KDM4E 2732/4885ALDH1A1 3275/4885

“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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