SCHEMBL3174308

SCHEMBL3174308

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ABCC9 O60706 5/20 0.44
KCNJ11 Q14654 5/20 0.44
PTGES O14684 1/20 0.39
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
P2RX7 Q99572 2/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL3174305 1.00 KMT2A (0.55) KMT2AABCC9KCNJ11PTGESHSD17B10
SCHEMBL3161470 0.86 KMT2A (0.51) KMT2AABCC9KCNJ11PTGESP2RX7
SCHEMBL3161472 0.86 KMT2A (0.51) KMT2AABCC9KCNJ11PTGESP2RX7
SCHEMBL10656076 0.81 KMT2A (0.59) KMT2AABCC9KCNJ11SMN1; SMN2ALDH1A1
SCHEMBL10656070 0.81 KMT2A (0.59) KMT2AABCC9KCNJ11SMN1; SMN2ALDH1A1
SCHEMBL3160487 0.81 KMT2A (0.46) KMT2AABCC9KCNJ11PTGESHSD17B10
SCHEMBL3160490 0.81 KMT2A (0.46) KMT2AABCC9KCNJ11PTGESHSD17B10
SCHEMBL2854760 0.77 KMT2A (0.55) KMT2AABCC9KCNJ11ALDH1A1CYP1A2
SCHEMBL2854762 0.77 KMT2A (0.55) KMT2AABCC9KCNJ11ALDH1A1CYP1A2
SCHEMBL3402743 0.77 KMT2A (0.80) KMT2ASMN1; SMN2ALDH1A1CYP2D6LMNA

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.