SCHEMBL20007970

SCHEMBL20007970

CO[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H](O)n1cnc2c(-c3ccccc3)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 3/20 0.38
▸ P2RX7 Q99572 1/20 0.36
▸ NAE1 Q13564 3/20 0.34
▸ UBA3 Q8TBC4 3/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ CCNB2 O95067 2/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ CCNB3 Q8WWL7 2/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL23080274 0.87 CDK2 (0.38) DNPH1CDK1CDK2
SCHEMBL20008037 0.86 ATG7 (0.40) NAE1UBA3CCNB2CDK1CCNB1
SCHEMBL23080286 0.85 ADORA2A (0.36) NAE1UBA3CCNB2CDK1CCNB1
SCHEMBL23080266 0.84 KDM5B (0.33) DNPH1
SCHEMBL20008059 0.84 RET (0.33) NAE1UBA3CCNB2CDK1CCNB1
SCHEMBL23080204 0.83 P2RX7 (0.41) DNPH1P2RX7NAE1UBA3FGFR1
SCHEMBL20008382 0.81 ADORA2A (0.32) CCNB2CDK1CCNB1CCNB3
SCHEMBL20008410 0.80 ATG7 (0.36) NAE1UBA3
SCHEMBL20008399 0.79 ABL1 (0.40) NAE1UBA3CCNB2CDK1CCNB1
SCHEMBL20008212 0.79 ADORA3 (0.34) NAE1UBA3

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-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

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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 DNPH1 113/4885P2RX7 736/4885NAE1 257/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 DNPH1 336/4885P2RX7 3017/4885NAE1 41/4885

“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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