SCHEMBL6768877

SCHEMBL6768877

c1ccc(CNc2ccc3[nH]ncc3c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.64
PTK2B Q14289 1/20 0.64
ROCK2 O75116 5/20 0.56
ROCK1 Q13464 5/20 0.56
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
TRPM5 Q9NZQ8 1/20 0.54
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PTPN11 Q06124 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
JAK2 O60674 2/20 0.47
MAPKAPK2 P49137 1/20 0.46
JAK1 P23458 1/20 0.46

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
SCHEMBL15426063 0.89 INSR (0.54) PTK2PTK2BROCK2ROCK1IDO1
SCHEMBL6259622 0.84 PTK2 (0.67) PTK2PTK2BROCK2ROCK1JAK2
SCHEMBL6213528 0.81 PTK2 (0.78) PTK2PTK2BROCK2ROCK1JAK2
SCHEMBL6212988 0.81 PTK2 (0.75) PTK2PTK2BIDO1TDO2
SCHEMBL6209907 0.81 PTK2 (0.75) PTK2PTK2BROCK2ROCK1TRPM5
SCHEMBL6241400 0.81 PTK2 (0.75) PTK2PTK2BROCK1JAK2
SCHEMBL6257378 0.79 PTK2 (1.00) PTK2PTK2BROCK2
SCHEMBL13220366 0.78 PTK2 (0.60) PTK2PTK2BROCK2ROCK1JAK2
SCHEMBL7256998 0.78 JAK2 (0.56) PTK2PTK2BROCK2ROCK1MAOB
SCHEMBL5424050 0.77 TRPM5 (0.50) ROCK2ROCK1TRPM5NPC1RAB9A

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 PTK2 423/4885PTK2B 76/4885ROCK2 808/4885

“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.