SCHEMBL488707

SCHEMBL488707

C1CNCC(CNC2CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
HRH4 Q9H3N8 2/20 0.38
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
PBK Q96KB5 2/20 0.37
EPHX1 P07099 1/20 0.37
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.35
MAN1B1 Q9UKM7 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
EED O75530 2/20 0.33
CHEK1 O14757 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33

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
SCHEMBL488706 1.00 KDM1A (0.42) KDM1AMAOBHRH3HRH4CPN1
SCHEMBL6696605 1.00 KDM1A (0.42) KDM1AMAOBHRH3HRH4CPN1
SCHEMBL4261850 0.87 KDM1A (0.47) KDM1AMAOBHRH3HRH4KCNH2
SCHEMBL4258478 0.87 KDM1A (0.47) KDM1AMAOBHRH3HRH4KCNH2
SCHEMBL4264468 0.87 KDM1A (0.47) KDM1AMAOBHRH3HRH4KCNH2
Hydrochloric Acid SCHEMBL29134327 0.85 KDM1A (0.46) KDM1AMAOBHRH3HRH4KCNH2
Hydrochloric Acid SCHEMBL29134423 0.85 KDM1A (0.46) KDM1AMAOBHRH3HRH4KCNH2
Hydrochloric Acid SCHEMBL29134424 0.85 KDM1A (0.46) KDM1AMAOBHRH3HRH4KCNH2
SCHEMBL21425535 0.83 KDM1A (0.45) KDM1AMAOBHRH3HRH4KCNH2
SCHEMBL31014227 0.82 KCNH2 (0.44) KDM1AMAOBHRH3HRH4CPN1

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 9 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
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 KDM1A 477/4885MAOB 1810/4885HRH3 2664/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 KDM1A 1496/4885MAOB 3044/4885HRH3 2090/4885

“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.