SCHEMBL13645833

SCHEMBL13645833

CC(=O)NC(C(=O)N1CCN(c2ccccc2)CC1)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.66
KMT2A Q03164 6/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL31641754 0.86 MAPK1 (0.54) CCR1KMT2ALMNATSHRMAPK1
SCHEMBL7720927 0.82 MAPK1 (0.52) CCR1KMT2ALMNATSHRMAPK1
SCHEMBL4486024 0.80 CCR1 (1.00) CCR1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4509271 0.80 CCR1 (0.79) CCR1KMT2ALMNATSHRALDH1A1
SCHEMBL15164219 0.80 CCR1 (0.79) CCR1KMT2ALMNATSHRALDH1A1
SCHEMBL4501169 0.80 CCR1 (0.79) CCR1KMT2ALMNATSHRALDH1A1
SCHEMBL766174 0.80 RBP4 (0.60) CCR1KMT2ALMNATSHRALDH1A1
SCHEMBL766350 0.80 RBP4 (0.60) CCR1KMT2ALMNATSHRALDH1A1
SCHEMBL7713747 0.80 GAA (0.53) CCR1KMT2ALMNATSHRMAPK1
SCHEMBL7308857 0.79 GAA (0.66) CCR1KMT2ATSHRMAPK1GAA

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-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 CCR1 138/4885KMT2A 2048/4885LMNA 4876/4885

“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.