SCHEMBL5488293

SCHEMBL5488293

Nc1ncc(-c2cccc(C(=O)NCCCN3CCCC3)c2)nc1OCCc1c(Cl)ccc(F)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.50
MET P08581 1/20 0.46
MAP4K4 O95819 1/20 0.45
SMYD2 Q9NRG4 7/20 0.44
F10 P00742 1/20 0.44
MAPT P10636 1/20 0.42
CSF1R P07333 1/20 0.42
TP53 P04637 1/20 0.42
IKBKB O14920 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL488105 0.90 ATR (0.53) ATRMETMAP4K4SMYD2MAPT
SCHEMBL30453359 0.90 ATR (0.53) ATRMETMAP4K4SMYD2MAPT
SCHEMBL488217 0.85 ATR (0.58) ATRMETMAP4K4CSF1RIKBKB
SCHEMBL30454379 0.85 ATR (0.58) ATRMETMAP4K4CSF1RIKBKB
SCHEMBL488485 0.84 MET (0.62) ATRMETMAP4K4SMYD2
SCHEMBL30453330 0.84 MET (0.62) ATRMETMAP4K4SMYD2
SCHEMBL488205 0.83 MAP4K4 (0.49) ATRMAP4K4KMT2A
SCHEMBL30452963 0.83 MAP4K4 (0.49) ATRMAP4K4KMT2A
SCHEMBL488299 0.83 MET (0.56) ATRMETMAP4K4SMYD2MAPT
SCHEMBL30452920 0.83 MET (0.56) ATRMETMAP4K4SMYD2MAPT

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 ATR 1572/4885MET 1/4885MAP4K4 40/4885

“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.