SCHEMBL5660396

SCHEMBL5660396

Clc1c[nH]c2ccc(-c3n[nH]c4cc[c]cc34)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
JAK2 O60674 5/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MAP2K4 P45985 4/20 0.33
MAP4K4 O95819 3/20 0.33
CDK2 P24941 3/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
MAPK1 P28482 3/20 0.33
MAPKAPK2 P49137 3/20 0.33
MAPKAPK3 Q16644 3/20 0.33
MAPK6 Q16659 3/20 0.33
CDC7 O00311 2/20 0.33
ROCK2 O75116 2/20 0.33
PIM1 P11309 2/20 0.33
HIPK2 Q9H2X6 2/20 0.33
MAPKAPK5 Q8IW41 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33

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
SCHEMBL4461828 0.76 GPR84 (0.32)
SCHEMBL695280 0.73 TRPA1 (0.52) IDO1MKNK1MAP2K4MAPK1MAPKAPK2
SCHEMBL23782742 0.72 IDO1 (0.35) IDO1MKNK1MAP2K4CDK2MAPK1
SCHEMBL29211938 0.71 PDGFRB (0.43) IDO1CDK2MAPK1PIM1TTK
SCHEMBL695357 0.71 MAP2K4 (0.45) IDO1MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL694496 0.70 ALDH1A1 (0.61) IDO1JAK2MKNK1MAP2K4MAP4K4
SCHEMBL694710 0.70 MAP2K4 (0.48) IDO1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2305274 0.68 KDM4E (0.32) IDO1JAK2TTK
SCHEMBL699588 0.68 MAP2K4 (0.54) IDO1MKNK1MAP2K4MAPK1MAPKAPK2
SCHEMBL699881 0.67 PIM1 (0.52) IDO1MAP2K4MAPK1MAPKAPK2MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 IDO1 783/4885JAK2 7/4885JAK1 28/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 IDO1 1063/4885JAK2 11/4885JAK1 38/4885

“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.