SCHEMBL488758

SCHEMBL488758

Nc1ncc(Br)nc1OCc1cccc(F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.38
DHFR P00374 3/20 0.37
DCPS Q96C86 3/20 0.37
MPO P05164 2/20 0.36
CSF1R P07333 2/20 0.35
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAOB P27338 2/20 0.33
USP7 Q93009 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL27630078 0.81 CSF1R (0.41) MGMTDHFRDCPSMPOCSF1R
SCHEMBL488716 0.79 DHFR (0.39) DHFRDCPSMPO
SCHEMBL488522 0.78 MAP4K4 (0.43) CSF1R
SCHEMBL30453249 0.78 MAP4K4 (0.43) CSF1R
SCHEMBL30453342 0.77 LDHA (0.46) CSF1R
SCHEMBL23022045 0.74 LOXL2 (0.45) MGMTDHFRMPOCSF1RTLR8
SCHEMBL3134237 0.72 ADORA2A (0.46)
SCHEMBL488626 0.71 KCNH2 (0.56)
SCHEMBL29507109 0.70 CSF1R (0.34) MGMTMPOCSF1R
SCHEMBL23022064 0.70 CSF1R (0.34) MGMTMPOCSF1R

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-1603570-B9 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-10-23 EP disclosed
EP-1603570-B1 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-01-23 EP disclosed
EP-2476667-A2 Aminoheteroaryl compounds as protein kinase inhibitors Sugen, Inc. (US) 2012-07-18 EP disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
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-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-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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP 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
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 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-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 MGMT 322/4885DHFR 790/4885DCPS 1566/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MGMT 748/4885DHFR 1240/4885DCPS 2209/4885

“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.