SCHEMBL488496

SCHEMBL488496

Nc1ncc(-c2cccc(NS(=O)(=O)CCNCC3CC3)c2)nc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 8/20 0.42
PIK3CD O00329 6/20 0.38
PIK3CA P42336 6/20 0.38
PIK3CG P48736 6/20 0.38
PIK3CB P42338 5/20 0.38
CSF1R P07333 2/20 0.37
ATR Q13535 3/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36

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
SCHEMBL30453889 1.00 TYRO3 (0.42) TYRO3PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL487823 0.91 CSF1R (0.37) PIK3CDPIK3CAPIK3CGPIK3CBCSF1R
SCHEMBL30452931 0.91 CSF1R (0.37) PIK3CDPIK3CAPIK3CGPIK3CBCSF1R
SCHEMBL30452783 0.89 TYRO3 (0.42) TYRO3PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL488736 0.89 TYRO3 (0.42) TYRO3PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL487979 0.86 MET (0.45) TYRO3
SCHEMBL30453826 0.86 MET (0.45) TYRO3
SCHEMBL488554 0.85 TYRO3 (0.40) TYRO3PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL30452628 0.85 TYRO3 (0.40) TYRO3PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL10216235 0.84 TYRO3 (0.39) TYRO3PIK3CDPIK3CAPIK3CGPIK3CB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4695588-B2 2011-06-08 JP claimed
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 TYRO3 416/4885PIK3CD 407/4885PIK3CA 463/4885

“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.