SCHEMBL17008486

SCHEMBL17008486

COCCNC(=O)c1cnc(Nc2cc(COc3ccc(N)c4ccccc34)ccn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
GPR52 Q9Y2T5 3/20 0.40
LOXL2 Q9Y4K0 5/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
LOX P28300 4/20 0.36
HCK P08631 2/20 0.36
MAPK12 P53778 2/20 0.36
SRC P12931 1/20 0.36
MTOR P42345 1/20 0.36
TYK2 P29597 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APAF1 O14727 1/20 0.35
NPC1 O15118 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
SCHEMBL17008512 0.92 GPR52 (0.41) MAPK14GPR52MRGPRX4
SCHEMBL17008525 0.88 MAPK14 (0.42) MAPK14GPR52MRGPRX4HCKMAPK12
SCHEMBL31086537 0.88 MAPK14 (0.42) MAPK14GPR52MRGPRX4HCKMAPK12
SCHEMBL17008477 0.87 MRGPRX4 (0.39) MAPK14MRGPRX4HCKMAPK12SRC
SCHEMBL17017129 0.85 MRGPRX4 (0.40) MAPK14MRGPRX4HCKMAPK12SRC
Hydrochloric Acid SCHEMBL17008549 0.85 MRGPRX4 (0.40) MAPK14MRGPRX4HCKMAPK12SRC
SCHEMBL18567061 0.84 GPR52 (0.44) MAPK14GPR52HCKMAPK12SRC
SCHEMBL17008507 0.84 HCK (0.37) MAPK14MRGPRX4HCKMAPK12SRC
SCHEMBL28566737 0.83 GPR52 (0.40) MAPK14GPR52MRGPRX4HCKMAPK12
SCHEMBL22898267 0.80 HCK (0.36) MAPK14MRGPRX4HCKMAPK12SRC

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 22 patents — showing the first 20. 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
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-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-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
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
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 MAPK14 18/4885GPR52 2855/4885LOXL2 1736/4885
US-20180118719-A1 PYRAZOLYL UREAS AS KINASE INHIBITORS MAP3K1, MAPK1, MAP3K7 MAPK14 16/4885GPR52 2728/4885LOXL2 2015/4885
US-11142515-B2 Pyrazolyl-ureas as kinase inhibitors MAPK1, MAP3K1, MAP3K8 MAPK14 12/4885GPR52 2702/4885LOXL2 1704/4885
US-20170057945-A1 NOVEL COMPOUNDS MAPK1, MAPK6, MAPKAPK2 MAPK14 4/4885GPR52 835/4885LOXL2 508/4885

“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.