SCHEMBL22053474

SCHEMBL22053474

Nc1ncn([C@H]2CC[C@@H](COP(=O)(O)OCC3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3O)O2)c(=O)n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.67
▸ P2RY2 P41231 1/20 0.59
▸ P2RY4 P51582 1/20 0.59
▸ P2RY6 Q15077 1/20 0.59
▸ NT5E P21589 2/20 0.50
▸ TGM2 P21980 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ FUT5 Q11128 1/20 0.48
▸ KRAS P01116 6/20 0.47
▸ DTYMK P23919 4/20 0.45
▸ F2 P00734 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL22053473 1.00 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL24219865 0.95 POLB (0.71) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20832611 0.89 POLB (0.68) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20832612 0.89 POLB (0.68) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20832619 0.88 POLB (0.81) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20710403 0.88 POLB (0.81) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL22053475 0.88 POLB (0.81) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL542729 0.88 P2RY2 (0.67) POLBP2RY2P2RY4P2RY6NT5E
Guadecitabine SCHEMBL23510987 0.86 POLB (0.66) POLBP2RY2P2RY4P2RY6NT5E
Guadecitabine SCHEMBL23234155 0.86 POLB (0.66) POLBP2RY2P2RY4P2RY6NT5E

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-10858386-B2 Drug compound and purification methods thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 — — US disclosed
US-20200172565-A1 DRUG COMPOUND AND PURIFICATION METHODS THEREOF ASTEX PHARMACEUTICALS, INC. 2020-06-04 — — 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-10858386-B2 Drug compound and purification methods thereof SRMS, TREH, SYMPK POLB 2788/4885P2RY2 3432/4885P2RY4 2241/4885
US-20200172565-A1 DRUG COMPOUND AND PURIFICATION METHODS THEREOF SRMS, TREH, SYMPK POLB 2788/4885P2RY2 3432/4885P2RY4 2241/4885

“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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