SCHEMBL5116534

SCHEMBL5116534

NC(=O)c1ccc(Nc2nc(=O)c3cc[nH]c3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.44
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ TTBK1 Q5TCY1 3/20 0.39
▸ TTBK2 Q6IQ55 3/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NEK2 P51955 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL4763425 0.70 SMN1; SMN2 (0.53) ROCK1MAPK1USP2TSHRKMT2A
SCHEMBL30495475 0.70 KDM4E (0.63) LRRK2MAPK1KMT2ASMN1; SMN2POLB
SCHEMBL14287375 0.68 LRRK2 (0.63) LRRK2IKBKBCHUKROCK1TTBK1
SCHEMBL13402697 0.68 TTBK1 (0.78) TTBK1TTBK2MKNK1EGFRAURKB
SCHEMBL17054445 0.68 MEN1 (0.67) ROCK1KMT2ASMN1; SMN2POLBAURKB
SCHEMBL9044197 0.66 DYRK1A (0.53) —
SCHEMBL14287378 0.66 LRRK2 (0.69) LRRK2IKBKBCHUKROCK1TTBK1
SCHEMBL7217546 0.66 POLB (0.53) KMT2APOLBEGFRGAA
SCHEMBL14547845 0.65 LRRK2 (0.58) LRRK2IKBKBCHUKROCK1TTBK1
SCHEMBL14287388 0.64 LRRK2 (0.68) LRRK2IKBKBCHUKROCK1TTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 — — 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 (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-20080004295-A1 NOVEL COMPOUNDS SYK, BTK, LCK LRRK2 2483/4885IKBKB 27/4885CHUK 21/4885

“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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