SCHEMBL17017129

SCHEMBL17017129

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
HCK P08631 6/20 0.37
MAPK12 P53778 6/20 0.37
MAPK14 Q16539 6/20 0.37
SRC P12931 2/20 0.36
HDAC3 O15379 3/20 0.36
NCOR1 O75376 3/20 0.36
NR3C2 P08235 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
XDH P47989 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CDC25B P30305 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
Hydrochloric Acid SCHEMBL17008549 0.99 MRGPRX4 (0.40) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17008477 0.90 MRGPRX4 (0.39) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17017907 0.89 MRGPRX4 (0.40) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL18567060 0.89 MRGPRX4 (0.42) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17008507 0.89 HCK (0.37) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17008512 0.88 GPR52 (0.41) MRGPRX4MAPK14HDAC3NCOR1HDAC1
SCHEMBL17008498 0.86 CTSV (0.43) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17008508 0.86 HCK (0.36) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL31086848 0.86 CTSV (0.43) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17008486 0.85 MAPK14 (0.44) MRGPRX4HCKMAPK12MAPK14SRC

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 13 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
US-11142515-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2021-10-12 US disclosed
CN-113264921-A Pyrazolyl-ureas as kinase inhibitors 瑞斯比维特有限公司 2021-08-17 CN disclosed
CN-106573914-B Pyrazolyl-ureas as kinase inhibitors 瑞斯比维特有限公司 2021-05-28 CN 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
US-20180118719-A1 PYRAZOLYL UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2018-05-03 US 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-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
US-20170057945-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-03-02 US 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 MRGPRX4 1532/4885HCK 773/4885MAPK12 43/4885
US-20180118719-A1 PYRAZOLYL UREAS AS KINASE INHIBITORS MAP3K1, MAPK1, MAP3K7 MRGPRX4 1473/4885HCK 553/4885MAPK12 37/4885
US-11142515-B2 Pyrazolyl-ureas as kinase inhibitors MAPK1, MAP3K1, MAP3K8 MRGPRX4 1215/4885HCK 730/4885MAPK12 37/4885
US-20170057945-A1 NOVEL COMPOUNDS MAPK1, MAPK6, MAPKAPK2 MRGPRX4 212/4885HCK 2965/4885MAPK12 13/4885

“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.