SCHEMBL19999967

SCHEMBL19999967

NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(F)cc4)ncnc32)C[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 4/20 0.61
▸ NR2F2 P24468 1/20 0.52
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ CA2 P00918 1/20 0.46

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
SCHEMBL19583065 0.86 SLC29A1 (0.76) SLC29A1NR2F2ADORA3
SCHEMBL1795030 0.85 SLC29A1 (0.64) SLC29A1ADORA3
SCHEMBL17865918 0.85 SLC29A1 (0.62) SLC29A1ADORA3
SCHEMBL20008060 0.84 NR2F2 (0.54) SLC29A1NR2F2CCNA2CDK2CDK5
SCHEMBL1796246 0.80 SLC29A1 (0.60) SLC29A1ADORA3
SCHEMBL10186161 0.80 SLC29A1 (0.60) SLC29A1ADORA3
SCHEMBL17875220 0.80 SLC29A1 (0.60) SLC29A1ADORA3
SCHEMBL13467483 0.79 SLC29A1 (0.76) SLC29A1
SCHEMBL19582977 0.79 SLC29A1 (0.76) SLC29A1
SCHEMBL1796043 0.79 SLC29A1 (0.63) SLC29A1ADORA3

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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — 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 (1 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 SLC29A1 1761/4885NR2F2 2928/4885CCNA2 129/4885

“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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