SCHEMBL13645868

SCHEMBL13645868

COCCOCOc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
DRD4 P21917 6/20 0.46
DRD3 P35462 6/20 0.46
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTNNB1 P35222 1/20 0.43
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
WDR5 P61964 1/20 0.41
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL13296739 0.98 KDM4E (0.45) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL15223702 0.88 KDM4E (0.54) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL12835053 0.88 KDM4E (0.54) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL15585749 0.88 KDM4E (0.54) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL10042114 0.88 KDM4E (0.54) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL20234188 0.88 KDM4E (0.54) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL21897674 0.88 KDM4E (0.54) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL6445608 0.85 DRD2 (0.55) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL20231634 0.84 DRD2 (0.52) DRD2DRD4DRD3L3MBTL1NPC1
SCHEMBL20234822 0.84 DRD2 (0.52) DRD2DRD4DRD3L3MBTL1NPC1

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
WO-2014100748-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 WO disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 DRD2 4227/4885DRD4 4612/4885DRD3 4109/4885

“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.