SCHEMBL1796310

SCHEMBL1796310

O[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 1.00
ADORA1 P30542 2/20 0.65
SLC29A1 Q99808 2/20 0.54
DNPH1 O43598 1/20 0.54
STAT6 P42226 1/20 0.52

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
SCHEMBL5270000 1.00 TYMP (1.00) TYMPADORA1SLC29A1DNPH1STAT6
SCHEMBL22458597 1.00 TYMP (1.00) TYMPADORA1SLC29A1DNPH1STAT6
SCHEMBL24201469 0.93 TYMP (0.86) TYMPADORA1SLC29A1
SCHEMBL22458251 0.93 TYMP (0.86) TYMPADORA1SLC29A1
SCHEMBL29649690 0.93 TYMP (0.86) TYMPADORA1SLC29A1
SCHEMBL29649671 0.93 TYMP (0.86) TYMPADORA1SLC29A1
SCHEMBL8610982 0.91 TYMP (0.83) TYMPADORA1SLC29A1DNPH1
SCHEMBL8613000 0.91 TYMP (0.83) TYMPADORA1SLC29A1DNPH1
SCHEMBL18044398 0.89 TYMP (0.80) TYMPADORA1SLC29A1DNPH1
SCHEMBL29822417 0.89 TYMP (0.80) TYMPADORA1SLC29A1DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
US-20220160747-A1 PHARMACEUTICAL COMPOSITION COMPRISING NOVEL AZOLOPYRIMIDINE HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-05-26 US disclosed
EP-3939988-A1 PHARMACEUTICAL COMPOSITION COMPRISING NOVEL AZOLOPYRIMIDINE HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2022-01-19 EP disclosed
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 EP disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
US-5750675-A 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosylpurines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-05-12 US disclosed
US-5525720-A Synthesis of 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosyl purines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-11 US disclosed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 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 (9 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 TYMP 1/4885ADORA1 857/4885SLC29A1 1761/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 TYMP 1/4885ADORA1 857/4885SLC29A1 1761/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 TYMP 270/4885ADORA1 2055/4885SLC29A1 3671/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 TYMP 4/4885ADORA1 232/4885SLC29A1 1134/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 TYMP 1/4885ADORA1 857/4885SLC29A1 1761/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 TYMP 270/4885ADORA1 2055/4885SLC29A1 3671/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 TYMP 4/4885ADORA1 232/4885SLC29A1 1134/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 TYMP 270/4885ADORA1 2055/4885SLC29A1 3671/4885
US-20220160747-A1 PHARMACEUTICAL COMPOSITION COMPRISING NOVEL AZOLOPYRIMIDINE HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT TP53, MSH2, ENTPD5 TYMP 30/4885ADORA1 6/4885SLC29A1 426/4885

“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.