SCHEMBL18630613

SCHEMBL18630613

NS(=O)(=O)OC1[C@H]2O[C@@H](n3cnc4c(NCc5ccccc5)ncnc43)[C@H](F)[C@@]12O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.52
▸ TP53 P04637 1/20 0.52
▸ SLC29A1 Q99808 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ DNPH1 O43598 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ NT5E P21589 1/20 0.48
▸ P2RX3 P56373 1/20 0.48
▸ P2RX2 Q9UBL9 1/20 0.48
▸ DOT1L Q8TEK3 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ DNMT3B Q9UBC3 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47

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
SCHEMBL18630409 0.85 SLC29A1 (0.49) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL18630524 0.83 ADORA3 (0.56) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL18631612 0.80 NAE1 (0.63) —
SCHEMBL18630609 0.80 HSP90B1 (0.36) ADORA3TP53TSHR
SCHEMBL18630522 0.79 ADORA3 (0.56) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL23080201 0.79 PAX8 (0.47) ADORA3TSHR
SCHEMBL1949613 0.77 DNPH1 (0.65) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL18631613 0.77 ATG7 (0.44) ADORA3SLC29A1TSHR
SCHEMBL1796735 0.76 DNPH1 (0.75) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL17889870 0.76 DNPH1 (0.75) ADORA3TP53SLC29A1TDP1DNPH1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ADORA3 1669/4885TP53 393/4885SLC29A1 1761/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 ADORA3 1669/4885TP53 393/4885SLC29A1 1761/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 ADORA3 3584/4885TP53 631/4885SLC29A1 3671/4885

“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.

Send feedback