SCHEMBL487898

SCHEMBL487898

Nc1ncc(-c2ccc3[nH]c(C(=O)NCCN4CCOCC4)cc3c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.58
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 1/20 0.52
SYK P43405 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43
ERBB2 P04626 1/20 0.43
ULK1 O75385 1/20 0.43
DRD4 P21917 2/20 0.43
MAP4K4 O95819 1/20 0.42
GRK5 P34947 1/20 0.42
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 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
SCHEMBL30452739 1.00 MET (0.58) METKDM4EALDH1A1HSD17B10MAPT
SCHEMBL30452667 0.93 MET (0.51) METKDM4EALDH1A1HSD17B10MAPT
SCHEMBL487484 0.93 MET (0.51) METKDM4EALDH1A1HSD17B10MAPT
SCHEMBL487848 0.82 MET (0.49) METDRD2DRD3HTR1AHTR2C
SCHEMBL30453696 0.82 MET (0.49) METDRD2DRD3HTR1AHTR2C
SCHEMBL10216768 0.81 MET (0.59) METKDM4EALDH1A1MAPTCD274
SCHEMBL488192 0.81 MET (0.62) METCD274
SCHEMBL30453097 0.81 MET (0.62) METCD274
SCHEMBL488203 0.80 MET (0.61) METKDM4EALDH1A1HSD17B10MAP4K4
SCHEMBL30452997 0.80 MET (0.61) METKDM4EALDH1A1HSD17B10MAP4K4

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
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US 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-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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 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 (1 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MET 1/4885KDM4E 875/4885ALDH1A1 2031/4885

“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.