SCHEMBL488813

SCHEMBL488813

Nc1ncccc1OCc1c(F)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
MAPT P10636 2/20 0.55
LTA4H P09960 1/20 0.51
MAPK14 Q16539 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SGMS2 Q8NHU3 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PPP1CA P62136 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.46
MET P08581 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL488951 0.90 NPC1 (0.61) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL488298 0.90 LTA4H (0.58) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL488660 0.84 RAB9A (0.57) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL488397 0.84 LTA4H (0.53) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL9123661 0.81 LTA4H (0.55) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL9124987 0.81 MET (0.56) RAB9ANPC1MAPTSMN1; SMN2TDP1
SCHEMBL9126930 0.80 NPC1 (0.55) RAB9ANPC1MAPTLTA4HMAPK14
SCHEMBL17253574 0.80 RAB9A (0.52) RAB9ASMN1; SMN2TDP1KDM4ESGMS2
SCHEMBL9126260 0.80 RAB9A (0.51) RAB9ANPC1MAPTSMN1; SMN2TDP1
SCHEMBL3019351 0.79 LTA4H (0.54) RAB9ANPC1MAPTLTA4HMAPK14

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
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
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 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 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.