SCHEMBL3159408

SCHEMBL3159408

O=C(COc1c[c]ccc1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.61
POLB P06746 1/20 0.59
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
USP2 O75604 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.53

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
SCHEMBL3160001 0.87 KMT2A (0.58) POLBALDH1A1HPGDUSP2MEN1
SCHEMBL3175249 0.86 HPGD (0.57) POLBALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL3161468 0.86 USP2 (0.62) FKBP1APOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL3168918 0.84 POLB (0.64) POLBALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL3154984 0.83 FKBP1A (0.69) FKBP1APOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL8320871 0.83 ALDH1A1 (0.79) FKBP1APOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL6297194 0.82 MEN1 (0.55) POLBALDH1A1SMN1; SMN2USP2MEN1
SCHEMBL7385489 0.80 KMT2A (0.58) SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7651453 0.78 KMT2A (0.47) POLBALDH1A1SMN1; SMN2USP2MEN1
SCHEMBL7651450 0.78 KMT2A (0.47) POLBALDH1A1SMN1; SMN2USP2MEN1

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 8 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
US-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 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 FKBP1A 1001/4885POLB 4498/4885ALDH1A1 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.