SCHEMBL1301651

SCHEMBL1301651

COc1nc2c(cc1NCc1ccc(Cl)c(F)c1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.45
▸ P2RX7 Q99572 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ TOP1 P11387 3/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ GSK3B P49841 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
SCHEMBL1301654 1.00 METTL3 (0.45) METTL3P2RX7PDE5ATOP1PDE10A
SCHEMBL1300582 0.94 METTL3 (0.45) METTL3P2RX7PDE5AHDAC3HDAC1
SCHEMBL1300580 0.94 METTL3 (0.45) METTL3P2RX7PDE5AHDAC3HDAC1
SCHEMBL1301167 0.93 METTL3 (0.43) METTL3PDE5AAURKARPS6KB1
SCHEMBL1301164 0.93 METTL3 (0.43) METTL3PDE5AAURKARPS6KB1
SCHEMBL1300864 0.93 METTL3 (0.42) METTL3P2RX7TOP1PDE10AGSK3B
SCHEMBL1300860 0.93 METTL3 (0.42) METTL3P2RX7TOP1PDE10AGSK3B
SCHEMBL1300294 0.90 METTL3 (0.43) METTL3PDE10AGSK3BCISD1KDM4E
SCHEMBL1300784 0.90 METTL3 (0.43) METTL3HDAC8CHRM1CDK2KDM4E
SCHEMBL1300552 0.90 METTL3 (0.43) METTL3P2RX7TOP1PDE10AGSK3B

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 4242/4885PDE5A 1636/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885P2RX7 4242/4885PDE5A 1636/4885

“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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