SCHEMBL488182

SCHEMBL488182

Nc1ncccc1OCc1ccc(F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
MAPT P10636 1/20 0.58
LTA4H P09960 1/20 0.51
MAPK14 Q16539 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGER1 P34995 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MET P08581 1/20 0.42
KDM4E B2RXH2 1/20 0.41
P2RX7 Q99572 2/20 0.41

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
SCHEMBL29857864 0.89 NPC1 (0.62) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL26916470 0.89 NPC1 (0.62) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL488869 0.87 NPC1 (0.59) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL6080485 0.85 MAPK14 (0.54) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL488757 0.82 LTA4H (0.61) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL29118568 0.81 ALDH1A1 (0.48) RAB9AMAPTL3MBTL1ALDH1A1ALOX15
SCHEMBL487833 0.80 JAK2 (0.58) RAB9AMAPTL3MBTL1ALDH1A1ALOX15
SCHEMBL9126930 0.80 NPC1 (0.55) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL488774 0.80 MET (0.46) RAB9AMAPK14L3MBTL1ALDH1A1ALOX15
SCHEMBL14647707 0.80 RAB9A (0.44) RAB9ANPC1MAPTL3MBTL1ALDH1A1

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 7 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-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-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 (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 RAB9A 2731/4885NPC1 4515/4885MAPT 2514/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 RAB9A 2752/4885NPC1 3437/4885MAPT 2035/4885

“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.