SCHEMBL17014133

SCHEMBL17014133

Cc1cc(COc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PTGES O14684 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CTSB P07858 2/20 0.38
GRM5 P41594 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
SCHEMBL1981976 0.85 DYRK1A (0.41) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL17008483 0.85 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL31086622 0.85 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL31086675 0.85 DYRK1A (0.41) KMT2AMEN1ALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL28934123 0.84 NPC1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2472026 0.81 CTSV (0.41) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL17014132 0.80 MRGPRX4 (0.42) KMT2AMEN1SMN1; SMN2MAPTMRGPRX4
SCHEMBL14842371 0.80 POLB (0.53) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL31086760 0.79 PTGES (0.38) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL17008491 0.78 LMNA (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA

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 KMT2A 3644/4885MEN1 4747/4885SMN1; SMN2 4462/4885
US-20170182039-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPKAPK2, MAP3K1 KMT2A 3285/4885MEN1 4673/4885SMN1; SMN2 2249/4885
US-20160368896-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPK4, MAPK8 KMT2A 1987/4885MEN1 4410/4885SMN1; SMN2 1838/4885
US-20170057945-A1 NOVEL COMPOUNDS MAPK1, MAPK6, MAPKAPK2 KMT2A 4499/4885MEN1 4553/4885SMN1; SMN2 3106/4885
US-20150232450-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPKAPK2, MAPK10 KMT2A 2821/4885MEN1 4243/4885SMN1; SMN2 1898/4885

“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.