SCHEMBL1300552

SCHEMBL1300552

COc1nc2c(cc1NCc1cc(F)c(F)c(F)c1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.43
▸ P2RX7 Q99572 11/20 0.35
▸ GSK3B P49841 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ATP6V1B2 P21281 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ TARBP2 Q15633 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.30
▸ TOP1 P11387 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30

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
SCHEMBL1300555 1.00 METTL3 (0.43) METTL3P2RX7GSK3BLMNACYP2C9
SCHEMBL1300666 0.92 METTL3 (0.42) METTL3P2RX7GSK3BLMNACYP2C9
SCHEMBL1300668 0.92 METTL3 (0.42) METTL3P2RX7GSK3BLMNACYP2C9
SCHEMBL1300860 0.92 METTL3 (0.42) METTL3P2RX7GSK3BPDE10ATOP1
SCHEMBL1300864 0.92 METTL3 (0.42) METTL3P2RX7GSK3BPDE10ATOP1
SCHEMBL1300290 0.90 METTL3 (0.43) METTL3GSK3BLMNAPDE10A
SCHEMBL1300294 0.90 METTL3 (0.43) METTL3GSK3BLMNAPDE10A
SCHEMBL1301654 0.90 METTL3 (0.45) METTL3P2RX7GSK3BPDE10ATOP1
SCHEMBL1301651 0.90 METTL3 (0.45) METTL3P2RX7GSK3BPDE10ATOP1
SCHEMBL1301311 0.90 METTL3 (0.45) METTL3GSK3BLMNACYP2C9ATP6V1B2

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885P2RX7 4242/4885GSK3B 524/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885P2RX7 4242/4885GSK3B 524/4885

“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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