SCHEMBL1300641

SCHEMBL1300641

COc1nc2c(cc1NCc1ccccc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.44
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ ASPH Q12797 2/20 0.36
▸ RIOX2 Q8IUF8 2/20 0.36
▸ KDM8 Q8N371 2/20 0.36
▸ PDE9A O76083 3/20 0.36
▸ F2 P00734 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ CSF1R P07333 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
SCHEMBL1300646 1.00 METTL3 (0.44) METTL3TSHRHIF1AKDM4EASPH
SCHEMBL1301348 0.93 METTL3 (0.40) METTL3KDM4EASPHRIOX2KDM8
SCHEMBL1301351 0.93 METTL3 (0.40) METTL3KDM4EASPHRIOX2KDM8
SCHEMBL1300294 0.92 METTL3 (0.43) METTL3KDM4EASPHRIOX2KDM8
SCHEMBL1300778 0.92 METTL3 (0.43) METTL3KDM4EASPHRIOX2KDM8
SCHEMBL1300290 0.92 METTL3 (0.43) METTL3KDM4EASPHRIOX2KDM8
SCHEMBL1300784 0.92 METTL3 (0.43) METTL3KDM4EASPHRIOX2KDM8
SCHEMBL1301076 0.92 METTL3 (0.46) METTL3PDE9AKDM4CGSK3B
SCHEMBL1301419 0.92 METTL3 (0.46) METTL3PDE9AMEN1KMT2ARXFP1
SCHEMBL1301424 0.92 METTL3 (0.46) METTL3PDE9AMEN1KMT2ARXFP1

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 2709/4885TSHR 4868/4885HIF1A 3992/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885TSHR 4868/4885HIF1A 3992/4885

“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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