SCHEMBL488820

SCHEMBL488820

O=[N+]([O-])c1ncccc1OCc1c(F)cccc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 4/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 2/20 0.49
S1PR4 O95977 1/20 0.49
MAPT P10636 4/20 0.47
POLB P06746 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
ESR2 Q92731 1/20 0.46
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL488902 0.91 NPC1 (0.59) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL488493 0.87 NPC1 (0.57) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL29857998 0.84 KMT2A (0.60) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL26917145 0.84 KMT2A (0.60) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL10561858 0.83 KMT2A (0.58) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL488725 0.83 NPC1 (0.66) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL488754 0.82 NPC1 (0.61) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL10557252 0.81 KMT2A (0.55) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL10558577 0.81 KMT2A (0.55) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL26917116 0.80 NPC1 (0.65) KMT2AMEN1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265477-B Aminoheteroaryl compounds as protein kinase inhibitors 苏根公司 2017-01-11 CN disclosed
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-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
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 KMT2A 430/4885MEN1 783/4885NPC1 4515/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 KMT2A 1170/4885MEN1 1141/4885NPC1 3437/4885

“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.