SCHEMBL17889807

SCHEMBL17889807

CC(=O)O[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1ncn2[C@H]1[CH][CH][C@@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.40
▸ NAE1 Q13564 2/20 0.39
▸ UBA3 Q8TBC4 2/20 0.39
▸ UBA6 A0AVT1 1/20 0.39
▸ ATG7 O95352 1/20 0.39
▸ UBA7 P41226 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL1799044 0.90 CRHR1 (0.40) CRHR1NAE1UBA3UBA6ATG7
SCHEMBL1798707 0.86 NAE1 (0.49) CRHR1NAE1UBA3UBA6ATG7
SCHEMBL17898105 0.68 NAE1 (0.71) NAE1UBA3UBA6ATG7UBA7
SCHEMBL5323088 0.68 UBA6 (0.57) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1798066 0.68 UBA6 (0.55) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1797606 0.68 UBA6 (0.57) NAE1UBA3UBA6ATG7UBA7
SCHEMBL17889836 0.68 UBA6 (0.57) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1798071 0.68 UBA6 (0.55) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1797603 0.68 UBA6 (0.57) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1798070 0.68 UBA6 (0.55) NAE1UBA3UBA6ATG7UBA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 CRHR1 3000/4885NAE1 257/4885UBA3 235/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 CRHR1 3000/4885NAE1 257/4885UBA3 235/4885

“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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