SCHEMBL3160490

SCHEMBL3160490

CC(C)CCCC(C)N=C(NC#N)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ABCC9 O60706 1/20 0.38
KCNJ11 Q14654 1/20 0.38
HPGD P15428 1/20 0.34
PTGES O14684 1/20 0.32
P2RX3 P56373 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
P2RX7 Q99572 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KCNA5 P22460 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL3160487 1.00 KMT2A (0.46) KMT2AABCC9KCNJ11HPGDPTGES
SCHEMBL3174308 0.81 KMT2A (0.55) KMT2AABCC9KCNJ11PTGESMEN1
SCHEMBL3174305 0.81 KMT2A (0.55) KMT2AABCC9KCNJ11PTGESMEN1
SCHEMBL3161472 0.77 KMT2A (0.51) KMT2AABCC9KCNJ11PTGESP2RX7
SCHEMBL3161470 0.77 KMT2A (0.51) KMT2AABCC9KCNJ11PTGESP2RX7
SCHEMBL3160496 0.74 ALDH1A1 (0.39) KMT2AHPGDMEN1ALDH1A1HTT
SCHEMBL10656076 0.73 KMT2A (0.59) KMT2AABCC9KCNJ11HPGDMEN1
SCHEMBL10656070 0.73 KMT2A (0.59) KMT2AABCC9KCNJ11HPGDMEN1
SCHEMBL2854762 0.72 KMT2A (0.55) KMT2AABCC9KCNJ11P2RX3ALDH1A1
SCHEMBL2854760 0.72 KMT2A (0.55) KMT2AABCC9KCNJ11P2RX3ALDH1A1

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
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP 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
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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 KMT2A 2048/4885ABCC9 397/4885KCNJ11 945/4885

“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.