SCHEMBL10100514

SCHEMBL10100514

CNCCCOc1ccc(-n2nnnc2-c2cc(-c3cc(C)cs3)cnc2N)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.32
KCNN4 O15554 2/20 0.32
GRIN1 Q05586 4/20 0.31
TDP1 Q9NUW8 1/20 0.30
NEK2 P51955 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
SCHEMBL10100554 0.89 FYN (0.38) GRIN2BKCNN4GRIN1NEK2
SCHEMBL10100556 0.89 NEK2 (0.35) GRIN2BKCNN4GRIN1NEK2
SCHEMBL10100575 0.87 KCNN4 (0.33) GRIN2BKCNN4GRIN1TDP1NEK2
SCHEMBL10100495 0.87 FYN (0.35) KCNN4
SCHEMBL10100655 0.87 NEK2 (0.37) GRIN2BKCNN4NEK2
SCHEMBL10100492 0.86 EPHX2 (0.42) KCNN4
SCHEMBL10100496 0.86 ACHE (0.38) KCNN4
SCHEMBL10100506 0.85 FYN (0.44) GRIN2BKCNN4
SCHEMBL10100477 0.84 KCNN4 (0.32) KCNN4
SCHEMBL10100559 0.84 KIT (0.37) GRIN2B

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 5 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
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 GRIN2B 3446/4885KCNN4 4066/4885GRIN1 2831/4885

“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.