SCHEMBL4604725

SCHEMBL4604725

Cc1ccc(CN(C)CCCCNC(=O)Nc2cc(C(=O)N(C)C)cc(C(=O)N(C)C)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.45
DAPK3 O43293 2/20 0.45
ROCK2 O75116 2/20 0.45
CHEK2 O96017 2/20 0.45
PRKCG P05129 2/20 0.45
CDK1 P06493 2/20 0.45
PIM1 P11309 2/20 0.45
RPS6KB1 P23443 2/20 0.45
CDK2 P24941 2/20 0.45
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45
MAPKAPK2 P49137 2/20 0.45
RPS6KA3 P51812 2/20 0.45
NEK2 P51955 2/20 0.45
LIMK1 P53667 2/20 0.45
CDK5 Q00535 2/20 0.45
PRKCZ Q05513 2/20 0.45
PRKCD Q05655 2/20 0.45
PAK1 Q13153 2/20 0.45
STK3 Q13188 2/20 0.45

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
SCHEMBL4605023 0.86 CCR3 (0.57) CHEK1DAPK3ROCK2CHEK2PRKCG
SCHEMBL4603379 0.85 CCR3 (0.46) CCR3
SCHEMBL14538537 0.81 KMT2A (0.41) CNR1CCR3ALDH1A1MAPTAPP
SCHEMBL4604262 0.79 LCK (0.48) ALDH1A1MAPTHTT
SCHEMBL27740409 0.77 APP (0.48) CCR3APPTMEM97SIGMAR1OPRM1
SCHEMBL4604462 0.76 CCR3 (0.55) CCR3
SCHEMBL4605178 0.75 CCR3 (0.47) CCR3
SCHEMBL4603378 0.75 CCR3 (0.47) CCR3
SCHEMBL4607403 0.75 CCR3 (0.55) CCR3
SCHEMBL4672751 0.74 CCR3 (0.48) CCR3

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
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 CHEK1 3687/4885DAPK3 2098/4885ROCK2 3257/4885

“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.