SCHEMBL487812

SCHEMBL487812

CN(C)CCS(=O)(=O)Nc1cccc(-c2cnc(N)c(OCc3c(F)ccc(F)c3Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.41
ACVR1 Q04771 2/20 0.41
FYN P06241 1/20 0.41
TGFBR1 P36897 1/20 0.41
ALK Q9UM73 5/20 0.41
ROS1 P08922 1/20 0.41
JAK2 O60674 2/20 0.39
MAP4K3 Q8IVH8 1/20 0.39
RIPK2 O43353 2/20 0.39
NOD2 Q9HC29 2/20 0.39
PRMT6 Q96LA8 1/20 0.35
BRAF P15056 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
SCHEMBL30453720 1.00 MET (0.41) METACVR1FYNTGFBR1ALK
SCHEMBL14492528 0.93 MET (0.42) METACVR1FYNTGFBR1ALK
SCHEMBL30453026 0.92 MET (0.40) METACVR1FYNTGFBR1ALK
SCHEMBL487815 0.92 MET (0.40) METACVR1FYNTGFBR1ALK
SCHEMBL30454728 0.91 MET (0.46) METALKROS1JAK2MAP4K3
SCHEMBL487665 0.91 MET (0.46) METALKROS1JAK2MAP4K3
SCHEMBL488225 0.85 TYRO3 (0.42) JAK2
SCHEMBL30452487 0.85 TYRO3 (0.42) JAK2
SCHEMBL488372 0.85 MET (0.44) METACVR1FYNTGFBR1JAK2
SCHEMBL30452745 0.85 MET (0.51) METACVR1FYNTGFBR1JAK2

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 6 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-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 1/4885ACVR1 653/4885FYN 840/4885

“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.