SCHEMBL5022740

SCHEMBL5022740

Cc1cc(N2CCC[C@H]2CO)c2ccc(I)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MAP2K7 O14733 1/20 0.39
NCF1 P14598 4/20 0.38
PDK2 Q15119 2/20 0.38
PDK4 Q16654 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CDK1 P06493 1/20 0.37
CDK5 Q00535 1/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL5022748 1.00 ACVR1 (0.40) ACVR1CCNE2CDK4CCND1CCNE1
SCHEMBL5036101 0.87 MAP2K7 (0.48) ACVR1CCNE2CDK4CCND1CCNE1
SCHEMBL5036104 0.87 MAP2K7 (0.48) ACVR1CCNE2CDK4CCND1CCNE1
SCHEMBL5026828 0.86 ADORA2A (0.41) NCF1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5026872 0.86 ADORA2A (0.41) NCF1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5026832 0.86 ADORA2A (0.41) NCF1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5521214 0.86 ACVR1 (0.40) ACVR1CCNE2CDK4CCND1CCNE1
SCHEMBL5084730 0.86 CCNE2 (0.42) ACVR1CCNE2CDK4CCND1CCNE1
SCHEMBL5521204 0.86 ACVR1 (0.40) ACVR1CCNE2CDK4CCND1CCNE1
SCHEMBL5025400 0.86 CCNE2 (0.42) ACVR1CCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R ACVR1 3700/4885CCNE2 4169/4885CDK4 4117/4885

“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.