SCHEMBL4584606

SCHEMBL4584606

CSc1cccc(NC(=O)N(S)C2CCN(c3ccnc4ccc(Cl)cc34)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.46
HTR6 P50406 5/20 0.42
HTR1A P08908 3/20 0.42
HTR1D P28221 3/20 0.42
HTR1B P28222 3/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4582816 0.93 MEN1 (0.48) PDGFRBMEN1KMT2AMAPTALDH1A1
SCHEMBL4585528 0.91 PDGFRB (0.50) PDGFRBHTR6HTR1AHTR1DHTR1B
SCHEMBL4583524 0.88 PDGFRB (0.58) PDGFRBHTR6HTR1AHTR1DHTR1B
SCHEMBL4583861 0.87 PDGFRB (0.52) PDGFRBHTR6HTR1AHTR1DHTR1B
SCHEMBL4582374 0.86 NPC1 (0.40) HCRTR1HCRTR2MEN1KMT2ACYP1A2
SCHEMBL4583592 0.85 JAK2 (0.49) PDGFRBHTR6HTR1AHTR1DHTR1B
SCHEMBL4583312 0.85 PDGFRB (0.47) PDGFRBMEN1KMT2AMAPTALDH1A1
SCHEMBL4582200 0.84 KDM4E (0.51) PDGFRBMEN1KMT2AMAPTALDH1A1
SCHEMBL4583204 0.82 PDGFRB (0.56) PDGFRBMAPT
SCHEMBL4582265 0.82 CYP1A2 (0.47) PDGFRBHCRTR1HCRTR2MEN1KMT2A

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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP 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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 PDGFRB 129/4885HTR6 114/4885HTR1A 80/4885

“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.