SCHEMBL2083103

SCHEMBL2083103

CC(C)(C)c1cc(N)n(-c2cccc(Br)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
MAPK14 Q16539 7/20 0.42
MAPK11 Q15759 5/20 0.42
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
DDR2 Q16832 3/20 0.42
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
SRC P12931 2/20 0.40
DHFR P00374 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT1 P42224 1/20 0.39
MAPK9 P45984 1/20 0.38
ABL1 P00519 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
Hydrochloric Acid SCHEMBL2081456 0.98 ALDH1A1 (0.44) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL25478967 0.83 ALDH1A1 (0.43) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL1013681 0.83 ALDH1A1 (0.67) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL4056715 0.83 NPC1 (0.45) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL1264553 0.82 CYP1A2 (0.61) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL1409752 0.82 GRN (0.46) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL31265737 0.82 GRN (0.46) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL1012342 0.82 MAPK14 (0.50) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL31388010 0.82 MAPK14 (0.48) ALDH1A1GRNSORT1MAPK14MAPK11
SCHEMBL1012452 0.82 MAPK14 (0.48) ALDH1A1GRNSORT1MAPK14MAPK11

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796742-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-24 US disclosed
EP-2890460-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2017-02-22 EP disclosed
US-20160340375-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
EP-2788348-B1 KINASE INHIBITORS CHIESI FARMA SPA (IT) 2016-10-19 EP disclosed
EP-2788348-B1 KINASE INHIBITORS CHIESI FARMA SPA (IT) 2016-10-19 EP disclosed
US-20150210722-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-07-30 US disclosed
EP-2890460-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-07-08 EP disclosed
US-9029373-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-12 US disclosed
US-9029373-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-12 US disclosed
US-9029373-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-12 US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
WO-2006014290-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-02-09 WO disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 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-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 ALDH1A1 3608/4885GRN 2076/4885SORT1 4153/4885
US-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF ALDH1A1 3257/4885GRN 1341/4885SORT1 3809/4885
US-20150210722-A1 KINASE INHIBITORS SYK, SRC, LYN ALDH1A1 2702/4885GRN 3360/4885SORT1 3500/4885
US-20160340375-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 2639/4885GRN 3218/4885SORT1 3481/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK ALDH1A1 1036/4885GRN 3968/4885SORT1 3228/4885

“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.