SCHEMBL488621

SCHEMBL488621

C1CNC(CNCC2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.35
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL6321401 1.00 FDPS (0.35) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL488620 1.00 FDPS (0.35) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL9679005 0.88 CYP2D6 (0.44) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL9824089 0.87 FDPS (0.38) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL9824076 0.87 FDPS (0.38) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL88162 0.84 CYP2D6 (0.47) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL88163 0.84 CYP2D6 (0.47) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL5046593 0.79 IKBKB (0.34) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL3405854 0.78
SCHEMBL13355756 0.78 SAT1 (0.36) CYP2D6MEN1ALDH1A1LMNATP53

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
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
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 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 (3 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 FDPS 2740/4885CYP2D6 1433/4885MEN1 783/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 FDPS 1863/4885CYP2D6 2334/4885MEN1 1141/4885
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 FDPS 1292/4885CYP2D6 3067/4885MEN1 4639/4885

“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.