SCHEMBL6768352

SCHEMBL6768352

O=C(O)c1ccc2c(O)ncnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 6/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
PTGS2 P35354 1/20 0.42
CA3 P07451 1/20 0.42
TYR P14679 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL4968804 0.81 PDE4A (0.47) TDP1TSHRKDM4EL3MBTL1GAA
SCHEMBL16447569 0.81 TDP1 (0.54) TDP1KDM4ECA12CA2CA9
SCHEMBL8276502 0.81 XDH (0.48) TDP1KDM4EL3MBTL1GAANPC1
SCHEMBL23069181 0.80 CSNK2A1 (0.49) TP53TSHRKDM4ECA12CA1
Hydrochloric Acid SCHEMBL6332115 0.79 PDE4A (0.46) TDP1TSHRKDM4EL3MBTL1GAA
SCHEMBL487232 0.75 KDM4E (0.47) TDP1KDM4ECA12CA1CA2
SCHEMBL5453911 0.75 EGFR (0.46) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL11192391 0.72 TDP1 (0.52) TDP1TP53TSHRKDM4ECA12
SCHEMBL13702434 0.72 EGFR (0.32)
SCHEMBL1766094 0.72 CSF1R (0.42) KDM4ECA6CA9CA14POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO 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 (1 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK TDP1 1863/4885TP53 59/4885TSHR 3537/4885

“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.