SCHEMBL17008503

SCHEMBL17008503

O=C(O)NCc1cnc(Nc2cc(COc3ccc([N+](=O)[O-])c4ccccc34)ccn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HCK P08631 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK14 Q16539 3/20 0.36
SRC P12931 1/20 0.36
PDCD1 Q15116 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CYP19A1 P11511 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
AKR1C3 P42330 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
SCHEMBL17008505 1.00 CTSV (0.39) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL22898272 0.90 CTSV (0.40) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL18546380 0.89 ALDH1A1 (0.38) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL17008493 0.89 ALDH1A1 (0.40) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL31086872 0.89 ALDH1A1 (0.40) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL17017617 0.87 ALDH1A1 (0.36) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL28579283 0.86 LMNA (0.39) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL31086848 0.86 CTSV (0.43) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL17008498 0.86 CTSV (0.43) CTSVCTSLALDH1A1LMNAHCK
SCHEMBL17008508 0.86 HCK (0.36) ALDH1A1HCKMAPK12MAPK14SRC

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 CTSV 2843/4885CTSL 1440/4885ALDH1A1 2498/4885
US-20180118719-A1 PYRAZOLYL UREAS AS KINASE INHIBITORS MAP3K1, MAPK1, MAP3K7 CTSV 2964/4885CTSL 1417/4885ALDH1A1 2021/4885
US-11142515-B2 Pyrazolyl-ureas as kinase inhibitors MAPK1, MAP3K1, MAP3K8 CTSV 2914/4885CTSL 1395/4885ALDH1A1 2565/4885
US-20170057945-A1 NOVEL COMPOUNDS MAPK1, MAPK6, MAPKAPK2 CTSV 2083/4885CTSL 1132/4885ALDH1A1 1165/4885

“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.