SCHEMBL6460188

SCHEMBL6460188

COc1ccc(NC(=O)N[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
AURKB Q96GD4 1/20 0.46
QPCT Q16769 2/20 0.45
PDE4D Q08499 3/20 0.45
SAE1 Q9UBE0 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
KDR P35968 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
PDE4A P27815 4/20 0.42
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6460190 1.00 POLB (0.49) POLBAURKBQPCTPDE4DSAE1
SCHEMBL6876727 0.92 SMN1; SMN2 (0.50) POLBAURKBSMN1; SMN2NPSR1KIT
SCHEMBL6876738 0.92 SMN1; SMN2 (0.50) POLBAURKBSMN1; SMN2NPSR1KIT
SCHEMBL6878920 0.86 MALT1 (0.47) AURKB
SCHEMBL6878909 0.86 MALT1 (0.47) AURKB
SCHEMBL6456655 0.85 AURKB (0.44) POLBAURKBSMN1; SMN2KITPDGFRA
SCHEMBL6456663 0.85 AURKB (0.44) POLBAURKBSMN1; SMN2KITPDGFRA
SCHEMBL6457387 0.81 KIT (0.45) POLBAURKBQPCTSMN1; SMN2KIT
SCHEMBL6457399 0.81 KIT (0.45) POLBAURKBQPCTSMN1; SMN2KIT
SCHEMBL4211134 0.80 MCHR1 (0.57) POLBPDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 POLB 3369/4885AURKB 1481/4885QPCT 1385/4885

“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.