SCHEMBL4196374

SCHEMBL4196374

CN(C)CCOc1cccc(-n2nc(C(C)(C)C)cc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LTA4H P09960 1/20 0.40
MAPK14 Q16539 3/20 0.39
ESR1 P03372 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 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
SCHEMBL13532244 0.86 MAPK14 (0.41) SRCALDH1A1MAPK14MAPK13MAPK12
SCHEMBL15485150 0.86 MAPK14 (0.41) SRCALDH1A1MAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL3169226 0.85 MAPK14 (0.41) SRCALDH1A1MAPK14MAPK13MAPK12
SCHEMBL1410393 0.85 MAPK14 (0.41) SRCALDH1A1MAPK14MAPK13MAPK12
SCHEMBL13576981 0.85 TP53 (0.46) ALDH1A1LMNAMAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL4054624 0.84 TP53 (0.45) ALDH1A1LMNAMAPK14MAPK13MAPK12
SCHEMBL28698599 0.81 CYP1A2 (0.47) FGFR1SRCKDM4EALDH1A1LMNA
SCHEMBL29396795 0.80 MAPK14 (0.54) ALDH1A1LMNAMAPK14MAPK13MAPK12
SCHEMBL2081538 0.80 MAPK14 (0.54) ALDH1A1LMNAMAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL1410273 0.79 MAPK14 (0.53) ALDH1A1LMNAMAPK14MAPK13MAPK12

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788345-B1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARM SPA (IT) 2020-06-10 EP disclosed
EP-2788345-B1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARM SPA (IT) 2020-06-10 EP disclosed
US-9458154-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-10-04 US disclosed
US-9458154-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-10-04 US disclosed
US-9458154-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-10-04 US disclosed
US-20150057273-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-02-26 US disclosed
US-20150057273-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-02-26 US disclosed
US-20150057273-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-02-26 US disclosed
EP-2788345-A1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT Chiesi Farmaceutici S.p.A. (IT) 2014-10-15 EP disclosed
WO-2013083206-A1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 WO disclosed
WO-2013083206-A1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 WO disclosed
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
WO-2007091152-A1 TRIAZOLOPYRIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-08-16 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 (2 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-20090012079-A1 Triazolopyridine Compounds MAPKAPK5, MAPK1, MAPK4 CHRNB2 995/4885CHRNA4 619/4885NOS1 397/4885
US-20150057273-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK4 CHRNB2 4424/4885CHRNA4 4530/4885NOS1 597/4885

“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.