SCHEMBL1799615

SCHEMBL1799615

OC[C@H]1O[C@@H](n2ccc3cnccc32)C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ PIM1 P11309 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PNP P00491 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TK1 P04183 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ADA P00813 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40

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
SCHEMBL23982318 1.00 ADRB1 (0.46) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL22333925 0.82 ADRB1 (0.47) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL22334012 0.82 ADRB1 (0.47) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL22333924 0.82 ADRB1 (0.47) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL23982125 0.82 ADRB1 (0.47) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL24687180 0.82 ADRB1 (0.47) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL1795916 0.81 ATG7 (0.44) —
SCHEMBL1795979 0.81 POLB (0.36) ADRB1DNMT1
SCHEMBL20419147 0.78 LMNA (0.54) DNMT1LMNATP53HTTHIF1A
SCHEMBL11915452 0.78 ADRB1 (0.49) ADRB1DNMT1PIM1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 — — EP disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 — — US disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 — — 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 (8 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 ADRB1 3455/4885DNMT1 1850/4885PIM1 1166/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 ADRB1 3455/4885DNMT1 1850/4885PIM1 1166/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 ADRB1 3128/4885DNMT1 2626/4885PIM1 1695/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 ADRB1 1229/4885DNMT1 2072/4885PIM1 1492/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 ADRB1 3455/4885DNMT1 1850/4885PIM1 1166/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 ADRB1 3128/4885DNMT1 2626/4885PIM1 1695/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 ADRB1 1229/4885DNMT1 2072/4885PIM1 1492/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 ADRB1 3128/4885DNMT1 2626/4885PIM1 1695/4885

“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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