SCHEMBL10100764

SCHEMBL10100764

CCN(CC)CCOc1ccc(-n2nnnc2-c2cc(-c3cncnc3)cnc2N)c(F)c1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.34
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.33
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
FYN P06241 1/20 0.31
KIT P10721 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
BIRC5 O15392 1/20 0.30

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
SCHEMBL10100577 0.94 KCNN4 (0.36) KCNN4P2RX7JAK2ADORA2AADORA1
SCHEMBL10100762 0.88 FYN (0.42) KCNN4P2RX7ADORA2AADORA1FYN
SCHEMBL10100765 0.87 FYN (0.45) KCNN4P2RX7FYNKIT
SCHEMBL10100780 0.87 KCNN4 (0.42) KCNN4P2RX7FYN
SCHEMBL10100758 0.86 LRRK2 (0.37) KCNN4JAK2PDGFRBFGFR1SRC
SCHEMBL10100763 0.86 KCNN4 (0.32) KCNN4P2RX7KITKDRFLT3
SCHEMBL10100760 0.85 LRRK2 (0.36) KCNN4JAK2PDGFRBFGFR1SRC
SCHEMBL10100716 0.85 ABL1 (0.36) KCNN4SRCKDR
SCHEMBL10100761 0.84 JAK2 (0.36) KCNN4JAK2KDR
SCHEMBL10100748 0.83 ALK (0.39) P2RX7KITKDR

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 KCNN4 4066/4885P2RX7 4285/4885JAK2 59/4885

“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.