SCHEMBL10100772

SCHEMBL10100772

Cc1c(OCCN(C)C)ccc(-n2nnnc2-c2cc(-c3ccc(F)cc3)cnc2N)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.40
CHEK2 O96017 1/20 0.37
KCNN4 O15554 4/20 0.36
TDO2 P48775 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAP4K4 O95819 1/20 0.35
NTRK1 P04629 1/20 0.35
ROCK2 O75116 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDR P35968 1/20 0.33
ACHE P22303 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
SCHEMBL10100584 0.94 FYN (0.41) FYNCHEK2KCNN4TDO2ADORA2A
SCHEMBL10100774 0.92 FYN (0.41) FYNCHEK2KCNN4MAP4K4
SCHEMBL10100771 0.88 KCNN4 (0.43) FYNKCNN4
SCHEMBL10100775 0.88 EPHX2 (0.42) FYNCHEK2KCNN4NTRK1TLR7
SCHEMBL10100770 0.87 KCNN4 (0.37) FYNCHEK2KCNN4KDR
SCHEMBL10100768 0.86 ADORA2A (0.38) FYNKCNN4ADORA2AADORA1PIK3R1
SCHEMBL10100587 0.86 FYN (0.42) FYNCHEK2KCNN4MAP4K4
SCHEMBL10100741 0.86 NEK2 (0.35) FYNCHEK2KCNN4NTRK1TLR7
SCHEMBL10100778 0.84 LRRK2 (0.42) FYNADORA2AADORA1PIK3R1PIK3CA
SCHEMBL10100542 0.83 FYN (0.44) FYNCHEK2KCNN4TLR7KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 FYN 532/4885CHEK2 109/4885KCNN4 4066/4885

“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.