SCHEMBL1884333

SCHEMBL1884333

CC1(C)c2ccc(P(c3ccccc3)c3ccccc3)cc2Oc2cc(P(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.49
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
FTO Q9C0B1 1/20 0.31

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
SCHEMBL21867939 0.88 DRD1 (0.46) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL28026555 0.85 DRD1 (0.49) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL30412133 0.84 DRD1 (0.72) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL2200119 0.84 DRD1 (0.72) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL29620958 0.84 DRD1 (0.72) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL29253292 0.84 DRD1 (0.57) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL22841575 0.76 FTO (0.36) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL14073339 0.74 CYP3A4 (0.43) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL24905071 0.72 DRD1 (0.42) DRD1CYP3A4TDP1ESR1ESR2
SCHEMBL24905030 0.72 DRD1 (0.42) DRD1CYP3A4TDP1ESR1ESR2

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-1979339-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2012-10-31 EP disclosed
US-7935819-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-05-03 US disclosed
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
US-20090082329-A1 Novel Sulphur-Containing Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
EP-2035408-A1 SULPHUR-CONTAINING CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2009-03-18 EP disclosed
WO-2008000922-A1 SULPHUR-CONTAINING CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2008-01-03 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 (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-20090082329-A1 Novel Sulphur-Containing Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors CHUK, BRAF, CNKSR1 DRD1 4616/4885CYP3A4 3710/4885TDP1 1781/4885
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKAR2B, CDK1, PRKX DRD1 3476/4885CYP3A4 2122/4885TDP1 1023/4885

“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.