SCHEMBL10100577

SCHEMBL10100577

CCN(CC)CCOc1ccc(-n2nnnc2-c2cc(-c3cncnc3)cnc2N)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.36
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.33
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
FYN P06241 2/20 0.31
BIRC5 O15392 1/20 0.31
KIT P10721 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL10100764 0.94 KCNN4 (0.34) KCNN4P2RX7JAK2ADORA2AADORA1
SCHEMBL10100576 0.88 FYN (0.43) KCNN4P2RX7FYNKDR
SCHEMBL10100579 0.87 FYN (0.45) KCNN4P2RX7FYNKIT
SCHEMBL10100598 0.87 KCNN4 (0.43) KCNN4P2RX7FYN
SCHEMBL10100572 0.86 LRRK2 (0.37) KCNN4JAK2FYNKITKDR
SCHEMBL10100575 0.86 KCNN4 (0.33) KCNN4P2RX7KITKDRFLT3
SCHEMBL10100573 0.85 LRRK2 (0.36) KCNN4JAK2KDR
SCHEMBL10100574 0.84 JAK2 (0.37) KCNN4JAK2KDR
SCHEMBL10100437 0.84 ABL1 (0.37) KCNN4ADORA2AADORA1KDRTLR7
SCHEMBL10100406 0.83 ABL1 (0.37) ADORA2AADORA1KDRHTR2AHTR2C

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 4 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-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
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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 (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.