SCHEMBL5488399

SCHEMBL5488399

Nc1nccc(-c2ccc(N3CCCS3(=O)=O)cc2)c1OCc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
MET P08581 3/20 0.34
CHEK1 O14757 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA6 P23280 1/20 0.34
OPRK1 P41145 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
IGF1R P08069 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
CSF1R P07333 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL488423 0.79 MET (0.61) FFAR1ALOX5APFEN1METCSF1R
SCHEMBL488575 0.78 CSF1R (0.56) FFAR1ALOX5APFEN1METCSF1R
SCHEMBL488881 0.69 S1PR1 (0.41) METKCNH2
SCHEMBL488865 0.69 LMNA (0.41) METKCNH2ALDH1A1
SCHEMBL488949 0.65 MET (0.61) METIGF1RALDH1A1
SCHEMBL488536 0.65 MET (0.55) ALOX5APFEN1MET
SCHEMBL487721 0.64 MET (0.44) ALOX5APFEN1MET
SCHEMBL3542897 0.63 CA1 (0.58) CA1CA2CA6OPRK1CA7
SCHEMBL488855 0.62 MPO (0.41) METMEN1ALDH1A1KMT2A
SCHEMBL20177129 0.61 PIK3C3 (0.44) ALOX5APFEN1CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 US disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 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 (1 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-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 FFAR1 3154/4885ALOX5AP 2138/4885FEN1 2377/4885

“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.