SCHEMBL6224732

SCHEMBL6224732

Clc1cc(-c2ccc[nH]2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK2 P24941 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
GSK3B P49841 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
CNR1 P21554 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP19A1 P11511 1/20 0.37
TRPA1 O75762 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 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
SCHEMBL23417018 0.78 IDO1 (0.49) IDO1MAP4K4KDM4CCDK5CDK5R1
SCHEMBL4027001 0.75 IDO1 (0.55) IDO1CCNCCDK8CDC7ROCK2
SCHEMBL16139800 0.74 KDM4C (0.57) MAPKAPK2KDM4CCNR1ADORA2ACDK5
SCHEMBL23416934 0.74 DYRK1A (0.46) IDO1KDM4CCNR1CYP19A1LOX
SCHEMBL29797564 0.74 DYRK1A (0.46) IDO1KDM4CCNR1CYP19A1LOX
SCHEMBL12337654 0.73 KDM4E (0.49) IDO1CDC7ROCK2MAP4K4CDK2
SCHEMBL27337788 0.73 IDO1 (0.57) IDO1
SCHEMBL237434 0.72 IDO1 (0.56) IDO1CNR1NUDT1NOTUM
SCHEMBL9215880 0.72 CYP2A6 (0.47) NOTUMMEN1KMT2A
SCHEMBL27767101 0.72 NISCH (0.52) IDO1CCNCCDK8CDC7ROCK2

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
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 IDO1 3507/4885CCNC 332/4885CDK8 196/4885

“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.