SCHEMBL18631629

SCHEMBL18631629

COc1ccccc1C#Cc1ncnc2c1ncn2[C@@H]1O[C@@H]2C(OS(N)(=O)=O)[C@]2(O)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RNMT O43148 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ TRPM2 O94759 1/20 0.35
▸ NNMT P40261 2/20 0.35
▸ AHCY P23526 1/20 0.35

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
SCHEMBL18631627 0.87 NNMT (0.34) ADORA3TRPM2NNMT
SCHEMBL18630484 0.81 UBA6 (0.36) ADORA3AHCY
SCHEMBL1794227 0.79 NAE1 (0.54) RNMTTRPM2
SCHEMBL18630476 0.78 DNPH1 (0.49) TRPM2AHCY
SCHEMBL18631613 0.76 ATG7 (0.44) ADORA3AHCY
SCHEMBL18630436 0.74 UBA6 (0.40) TRPM2AHCY
SCHEMBL18630543 0.73 SLC29A1 (0.41) NNMT
SCHEMBL18630414 0.72 NNMT (0.40) ADORA3NNMTAHCY
SCHEMBL23080201 0.72 PAX8 (0.47) ADORA3
SCHEMBL18630399 0.72 ADORA2B (0.46) ADORA3

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 RNMT 1365/4885ABL1 2724/4885ADORA3 1669/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 RNMT 1365/4885ABL1 2724/4885ADORA3 1669/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RNMT 2744/4885ABL1 2833/4885ADORA3 3584/4885

“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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