SCHEMBL17008508

SCHEMBL17008508

Nc1ccc(OCc2ccnc(Nc3cnc(CNC(=O)O)cn3)c2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 8/20 0.36
MAPK12 P53778 8/20 0.36
MAPK14 Q16539 8/20 0.36
SRC P12931 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
KMT2A Q03164 2/20 0.35
LNPEP Q9UIQ6 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR3C2 P08235 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33

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
SCHEMBL18567057 0.88 HDAC1 (0.39) HCKMAPK12MAPK14SRC
SCHEMBL31086673 0.87 IKBKE (0.40) HCKMAPK12MAPK14SRCMRGPRX4
SCHEMBL17008526 0.87 IKBKE (0.40) HCKMAPK12MAPK14SRCMRGPRX4
SCHEMBL28577141 0.86 HCK (0.35) HCKMAPK12MAPK14SRCMRGPRX4
SCHEMBL31086563 0.86 HCK (0.35) HCKMAPK12MAPK14SRCMRGPRX4
SCHEMBL17008503 0.86 CTSV (0.39) HCKMAPK12MAPK14SRCKMT2A
SCHEMBL17008505 0.86 CTSV (0.39) HCKMAPK12MAPK14SRCKMT2A
SCHEMBL17017618 0.86 FAAH (0.34) HCKMAPK12MAPK14SRCKMT2A
SCHEMBL17017129 0.86 MRGPRX4 (0.40) HCKMAPK12MAPK14SRCMRGPRX4
Hydrochloric Acid SCHEMBL17008549 0.85 MRGPRX4 (0.40) HCKMAPK12MAPK14SRCMRGPRX4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142515-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2021-10-12 US disclosed
EP-3418279-B1 DRY POWDER PHARMACEUTICAL FORMULATION RESPIVERT LTD (GB) 2021-01-20 EP disclosed
US-10294216-B2 Pyrazolyl ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2019-05-21 US disclosed
EP-3418279-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY COMPOUNDS Respivert Limited (GB) 2018-12-26 EP disclosed
EP-3105223-B1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LTD (GB) 2018-09-12 EP disclosed
US-20180118719-A1 PYRAZOLYL UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2018-05-03 US disclosed
US-9884845-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2018-02-06 US disclosed
US-20170057945-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-03-02 US disclosed
EP-3105223-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS Respivert Limited (GB) 2016-12-21 EP disclosed
WO-2015121660-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-08-20 WO 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 (4 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-10294216-B2 Pyrazolyl ureas as kinase inhibitors MAP3K1, MAP3K2, MAP3K8 HCK 773/4885MAPK12 43/4885MAPK14 18/4885
US-20180118719-A1 PYRAZOLYL UREAS AS KINASE INHIBITORS MAP3K1, MAPK1, MAP3K7 HCK 553/4885MAPK12 37/4885MAPK14 16/4885
US-11142515-B2 Pyrazolyl-ureas as kinase inhibitors MAPK1, MAP3K1, MAP3K8 HCK 730/4885MAPK12 37/4885MAPK14 12/4885
US-20170057945-A1 NOVEL COMPOUNDS MAPK1, MAPK6, MAPKAPK2 HCK 2965/4885MAPK12 13/4885MAPK14 4/4885

“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.