SCHEMBL17898108

SCHEMBL17898108

Cc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 16/20 0.57
HIF1A Q16665 1/20 0.53
POLB P06746 1/20 0.53
ENPP1 P22413 1/20 0.52
P2RY1 P47900 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
SCHEMBL12617483 0.86 ATG7 (0.56) ATG7HIF1A
SCHEMBL1795120 0.84 DNPH1 (0.54) ATG7POLBENPP1P2RY1
SCHEMBL17612282 0.82 HIF1A (0.75) HIF1A
SCHEMBL2048956 0.82 HIF1A (0.75) HIF1A
SCHEMBL2408903 0.82 HIF1A (0.75) HIF1A
SCHEMBL23982423 0.82 HIF1A (0.75) HIF1A
SCHEMBL98134 0.82 HIF1A (0.75) HIF1A
SCHEMBL1795625 0.81 NAE1 (0.51)
SCHEMBL1796966 0.81 ATG7 (0.63) ATG7P2RY1
SCHEMBL5321913 0.81 ATG7 (0.63) ATG7P2RY1

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 4 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-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-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 ATG7 2417/4885HIF1A 1015/4885POLB 70/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 ATG7 2417/4885HIF1A 1015/4885POLB 70/4885

“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.