SCHEMBL488306

SCHEMBL488306

O=[N+]([O-])c1ncccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.71
NPC1 O15118 4/20 0.64
RAB9A P51151 2/20 0.64
L3MBTL1 Q9Y468 3/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HPD P32754 2/20 0.53
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL488932 0.89 NPC1 (0.62) S1PR4NPC1RAB9AL3MBTL1CTDSP1
SCHEMBL488659 0.85 NPC1 (0.64) S1PR4NPC1RAB9AL3MBTL1CTDSP1
SCHEMBL29857877 0.81 NPC1 (0.66) S1PR4NPC1RAB9AL3MBTL1CTDSP1
SCHEMBL26916989 0.81 NPC1 (0.66) S1PR4NPC1RAB9AL3MBTL1CTDSP1
SCHEMBL15779276 0.81 S1PR4 (0.73) S1PR4NPC1RAB9AL3MBTL1CTDSP1
SCHEMBL5797850 0.80 MAPT (0.50) S1PR4NPC1RAB9AL3MBTL1KMT2A
SCHEMBL488725 0.79 NPC1 (0.66) S1PR4NPC1RAB9AL3MBTL1CTDSP1
SCHEMBL10563192 0.77 KMT2A (0.60) S1PR4NPC1RAB9AL3MBTL1KMT2A
SCHEMBL488869 0.77 NPC1 (0.59) S1PR4NPC1RAB9AL3MBTL1KMT2A
SCHEMBL3576759 0.76 INPPL1 (0.54) S1PR4NPC1RAB9AL3MBTL1KMT2A

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 S1PR4 3523/4885NPC1 4515/4885RAB9A 2731/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 S1PR4 4626/4885NPC1 3437/4885RAB9A 2752/4885

“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.