SCHEMBL13645932

SCHEMBL13645932

Cc1ccc(OC(=O)N2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
CYP2D6 P10635 2/20 0.69
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
CHRNA7 P36544 2/20 0.56
HRH3 Q9Y5N1 3/20 0.53
MBTD1 Q05BQ5 3/20 0.52
L3MBTL3 Q96JM7 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4018680 0.86 CYP1A2 (0.69) CYP1A2CYP2D6ALDH1A1POLBCHRNA7
SCHEMBL21766914 0.85 CYP2D6 (0.65) CYP1A2CYP2D6ALDH1A1POLBCYP2C19
SCHEMBL12994617 0.85 ALDH1A1 (0.82) CYP1A2ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL8149995 0.85 CYP1A2 (0.67) CYP1A2CYP2D6ALDH1A1POLBMBTD1
SCHEMBL4993839 0.84 CYP1A2 (0.67) CYP1A2CYP2D6ALDH1A1POLBCHRNA7
SCHEMBL8235480 0.83 ALDH1A1 (0.79) CYP1A2ALDH1A1POLBCYP2C19CYP2C9
SCHEMBL13475706 0.83 CYP1A2 (0.65) CYP1A2CYP2D6ALDH1A1POLBCHRNA7
SCHEMBL4023975 0.83 CYP1A2 (0.65) CYP1A2CYP2D6ALDH1A1POLBCHRNA7
SCHEMBL4018355 0.82 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL10458999 0.81 GAA (0.74) CYP1A2ALDH1A1POLBCYP2C19CYP2C9

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-2023274246-A1 AMIDE COMPOUND AND USE THEREOF 成都分迪药业有限公司 2023-01-05 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 CYP1A2 1987/4885CYP2D6 1505/4885ALDH1A1 208/4885

“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.