SCHEMBL13645863

SCHEMBL13645863

Cc1cccc(OCCCc2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP2A6 P11509 1/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ PTAFR P25105 1/20 0.46

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
SCHEMBL12015516 0.93 F2 (0.51) HSD17B10KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL13452125 0.84 MAPK1 (0.57) HTTDRD2MAPK1
SCHEMBL13452127 0.84 F2 (0.61) HSD17B10KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL13452328 0.82 HPGD (0.63) HSD17B10KMT2ATDP1L3MBTL1HTT
SCHEMBL13106257 0.80 TDP1 (0.58) KMT2ACYP3A4CYP2D6CYP2C9TDP1
SCHEMBL10235855 0.78 TSHR (0.52) KMT2ACYP3A4CYP2D6CYP2C9TDP1
SCHEMBL14197924 0.78 MAPK1 (0.55) KMT2ACYP3A4CYP2D6CYP2C9TDP1
SCHEMBL20121675 0.78 MAOB (0.60) HSD17B10DRD2DRD4HPGDDRD3
SCHEMBL2039735 0.77 CYP2A6 (0.48) CYP3A4CYP2D6CYP2C9TDP1L3MBTL1
SCHEMBL12875452 0.76 F2 (0.62) HSD17B10KMT2ACYP3A4CYP2D6CYP2C9

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 HSD17B10 4670/4885KMT2A 2048/4885CYP3A4 1704/4885

“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.

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