SCHEMBL13645879

SCHEMBL13645879

Cc1cccc(OCCc2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
RECQL P46063 1/20 0.51
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
F2 P00734 1/20 0.50
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 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
SCHEMBL13645800 0.84 KDM4E (0.55) TDP1KDM4EMAPK1HSD17B10KMT2A
SCHEMBL13106255 0.83 GPBAR1 (0.52) TDP1KDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL10272586 0.82 HIF1A (0.57) CYP2D6CYP2C9DRD2DRD4LMNA
SCHEMBL13439824 0.82 POLB (0.59) TDP1KDM4EKMT2ALMNAHTT
SCHEMBL13462741 0.82 ALDH1A1 (0.49) TDP1KDM4EMAPK1CYP2D6CYP2C9
SCHEMBL10697786 0.81 HRH1 (0.53) CYP2D6CYP2C9CYP2C19RECQLLMNA
SCHEMBL6090065 0.81 CHRNB2 (0.50) TDP1KDM4EDRD2DRD4KMT2A
SCHEMBL13450964 0.81 KDM4E (0.42) TDP1KDM4ERECQLLMNAHTT
SCHEMBL13097032 0.79 ALDH1A1 (0.61) KDM4EMAPK1KMT2ALMNAHTT
SCHEMBL15411938 0.78 NPC1 (0.45) TDP1KDM4ECYP2D6CYP2C9KMT2A

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-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-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 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 TDP1 1223/4885KDM4E 2344/4885MAPK1 203/4885

“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.