SCHEMBL10100575

SCHEMBL10100575

CCN(CC)CCOc1ccc(-n2nnnc2-c2cc(-c3cc(C)cs3)cnc2N)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.33
GRIN2B Q13224 4/20 0.32
NEK2 P51955 1/20 0.32
P2RX7 Q99572 1/20 0.32
GRIN1 Q05586 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KIT P10721 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10100763 0.94 KCNN4 (0.32) KCNN4GRIN2BNEK2P2RX7ALDH1A1
SCHEMBL10100556 0.92 NEK2 (0.35) KCNN4GRIN2BNEK2GRIN1
SCHEMBL10100554 0.91 FYN (0.38) KCNN4GRIN2BNEK2GRIN1
SCHEMBL10100514 0.87 GRIN2B (0.32) KCNN4GRIN2BNEK2GRIN1TDP1
SCHEMBL10100741 0.86 NEK2 (0.35) KCNN4GRIN2BNEK2GRIN1
SCHEMBL10100577 0.86 KCNN4 (0.36) KCNN4P2RX7KITKDRFLT3
SCHEMBL10100559 0.84 KIT (0.37) GRIN2BALDH1A1KITKDRFLT3
SCHEMBL10100598 0.83 KCNN4 (0.43) KCNN4P2RX7ALDH1A1
SCHEMBL10100576 0.82 FYN (0.43) KCNN4GRIN2BP2RX7GRIN1KDR
SCHEMBL10100579 0.82 FYN (0.45) KCNN4P2RX7KIT

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 4066/4885GRIN2B 3446/4885NEK2 454/4885

“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.