SCHEMBL17014135

SCHEMBL17014135

Cc1ccc(OCc2ccnc(N)c2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.45
NOS1 P29475 4/20 0.45
NOS2 P35228 4/20 0.45
MRGPRX4 Q96LA9 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
F2 P00734 1/20 0.38
CGAS Q8N884 1/20 0.38
MAPK14 Q16539 2/20 0.38
HCK P08631 1/20 0.38
MAPK12 P53778 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL1979771 0.86 IDO1 (0.44) NOS3NOS1NOS2MRGPRX4PLAU
SCHEMBL31086650 0.86 IDO1 (0.44) NOS3NOS1NOS2MRGPRX4PLAU
SCHEMBL17014132 0.86 MRGPRX4 (0.42) MRGPRX4PLAUPLATF2MAPK14
SCHEMBL17014137 0.83 RECQL (0.41) MRGPRX4PLAUPLATF2MEN1
SCHEMBL18567053 0.81 ABCB1 (0.48) MRGPRX4PLAUPLATGABRA1GABRG2
SCHEMBL17017685 0.80 MAPK14 (0.40) NOS3NOS1NOS2MRGPRX4PLAU
SCHEMBL1981976 0.78 DYRK1A (0.41) NOS3NOS1NOS2MRGPRX4GABRP
SCHEMBL31086675 0.78 DYRK1A (0.41) NOS3NOS1NOS2MRGPRX4GABRP
SCHEMBL18567054 0.78 LRRK2 (0.41) MRGPRX4MAPK14HCKMAPK12KDM4E
SCHEMBL18567055 0.76 HCK (0.37) MRGPRX4MAPK14HCKMAPK12MEN1

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 NOS3 134/4885NOS1 112/4885NOS2 83/4885
US-20170182039-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPKAPK2, MAP3K1 NOS3 1732/4885NOS1 827/4885NOS2 1071/4885
US-20160368896-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPK4, MAPK8 NOS3 83/4885NOS1 49/4885NOS2 56/4885
US-20170057945-A1 NOVEL COMPOUNDS MAPK1, MAPK6, MAPKAPK2 NOS3 182/4885NOS1 114/4885NOS2 67/4885
US-20150232450-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPKAPK2, MAPK10 NOS3 471/4885NOS1 172/4885NOS2 195/4885

“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.