SCHEMBL17014136

SCHEMBL17014136

CCc1cncc(Nc2cc(COc3ccc(C)c4ccccc34)ccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCK P08631 9/20 0.37
MAPK12 P53778 9/20 0.37
MAPK14 Q16539 9/20 0.37
SRC P12931 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABL1 P00519 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
GCK P35557 1/20 0.33
BRAF P15056 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL17004772 0.89 HCK (0.35) HCKMAPK12MAPK14SRCMEN1
SCHEMBL17017528 0.89 HCK (0.35) HCKMAPK12MAPK14SRCMEN1
SCHEMBL31086607 0.89 HCK (0.35) HCKMAPK12MAPK14SRCMEN1
SCHEMBL17018876 0.87 MAPK14 (0.39) HCKMAPK12MAPK14SRCMEN1
SCHEMBL17004776 0.87 MAPK14 (0.48) HCKMAPK12MAPK14SRCMEN1
SCHEMBL18567054 0.86 LRRK2 (0.41) HCKMAPK12MAPK14SRCMEN1
SCHEMBL28573504 0.85 HCK (0.38) HCKMAPK12MAPK14SRCMEN1
SCHEMBL17014134 0.85 ALDH1A1 (0.39) HCKMAPK12MAPK14SRCMEN1
SCHEMBL18567055 0.84 HCK (0.37) HCKMAPK12MAPK14SRCMEN1
SCHEMBL29711928 0.84 MAPK14 (0.45) HCKMAPK12MAPK14SRCBRAF

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
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-20170182039-A1 INHIBITOR OF p38 MAP KINASE TOPIVERT PHARMA LTD. (GB) 2017-06-29 US disclosed
US-9624196-B2 Inhibitor of p38 MAP kinase RESPIVERT LTD. (GB) 2017-04-18 US disclosed
US-20170057945-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-03-02 US disclosed
US-20160368896-A1 INHIBITOR OF p38 MAP KINASE RESPIVERT LIMITED (GB) 2016-12-22 US disclosed
US-9447076-B2 Inhibitor of p38 map kinase RESPIVERT LTD. (GB) 2016-09-20 US disclosed
US-20150232450-A1 INHIBITOR OF p38 MAP KINASE RESPIVERT LIMITED (GB) 2015-08-20 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 (5 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-20180118719-A1 PYRAZOLYL UREAS AS KINASE INHIBITORS MAP3K1, MAPK1, MAP3K7 HCK 553/4885MAPK12 37/4885MAPK14 16/4885
US-20170182039-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPKAPK2, MAP3K1 HCK 274/4885MAPK12 34/4885MAPK14 5/4885
US-20160368896-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPK4, MAPK8 HCK 678/4885MAPK12 33/4885MAPK14 13/4885
US-20170057945-A1 NOVEL COMPOUNDS MAPK1, MAPK6, MAPKAPK2 HCK 2965/4885MAPK12 13/4885MAPK14 4/4885
US-20150232450-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPKAPK2, MAPK10 HCK 812/4885MAPK12 27/4885MAPK14 9/4885

“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.