SCHEMBL1672427

SCHEMBL1672427

O=C(CNc1ccccc1Cl)NN=Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.66
▸ CHEK1 O14757 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ NTRK1 P04629 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ CSF1R P07333 1/20 0.52
▸ RET P07949 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ MET P08581 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ PRKACA P17612 1/20 0.52

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
SCHEMBL1672426 1.00 ROCK2 (0.66) ROCK2CHEK1AURKADAPK3JAK2
SCHEMBL3633246 0.91 ROCK2 (0.55) ROCK2CHEK1AURKADAPK3JAK2
SCHEMBL3633243 0.91 ROCK2 (0.55) ROCK2CHEK1AURKADAPK3JAK2
SCHEMBL3632353 0.87 ROCK2 (0.50) ROCK2CHEK1AURKADAPK3JAK2
SCHEMBL3632351 0.87 ROCK2 (0.50) ROCK2CHEK1AURKADAPK3JAK2
SCHEMBL12648526 0.84 MAPT (0.66) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL3631995 0.81 KMT2A (0.54) ROCK2CHEK1AURKADAPK3JAK2
SCHEMBL3631996 0.81 KMT2A (0.54) ROCK2CHEK1AURKADAPK3JAK2
SCHEMBL690273 0.81 GRK2 (0.65) ROCK2CHEK1AURKADAPK3JAK2
SCHEMBL690272 0.81 GRK2 (0.65) ROCK2CHEK1AURKADAPK3JAK2

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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US claimed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 — — US disclosed
US-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-08-30 — — US disclosed
EP-2490696-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-08-29 — — EP disclosed
WO-2011048070-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-04-28 — — WO disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 — — EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 — — US disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 — — 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-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS CFTR, IAPP, GPR119 ROCK2 3804/4885CHEK1 3858/4885AURKA 4855/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 ROCK2 2423/4885CHEK1 2941/4885AURKA 4406/4885

“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.

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