SCHEMBL10100689

SCHEMBL10100689

CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN4CCCCC4)c(F)c3F)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
LRRK2 Q5S007 1/20 0.35
KDR P35968 3/20 0.34
CYP3A4 P08684 2/20 0.34
HTR3A P46098 2/20 0.34
EHMT2 Q96KQ7 2/20 0.33
EHMT1 Q9H9B1 2/20 0.33
HRH3 Q9Y5N1 3/20 0.33
PDPK1 O15530 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNN4 O15554 1/20 0.33
FGFR1 P11362 2/20 0.32
AURKB Q96GD4 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL10100684 0.99 JAK2 (0.36) JAK2LRRK2KDRCYP3A4HTR3A
SCHEMBL10100685 0.98 LRRK2 (0.35) JAK2LRRK2KDRCYP3A4MAPK1
SCHEMBL10100690 0.97 LRRK2 (0.35) JAK2LRRK2KDRCYP3A4MAPK1
SCHEMBL10100683 0.93 IKBKE (0.39) JAK2LRRK2FGFR1FGFR2FGFR3
SCHEMBL2360012 0.92 JAK2 (0.38) JAK2LRRK2KDRCYP3A4HTR3A
SCHEMBL10100676 0.92 LRRK2 (0.39) LRRK2KDRCYP3A4HTR3AHRH3
SCHEMBL10100671 0.91 JAK2 (0.38) JAK2LRRK2KDRCYP3A4EHMT2
SCHEMBL10100677 0.91 LRRK2 (0.40) LRRK2KDRCYP3A4HTR3AMAPK1
SCHEMBL10100687 0.91 IKBKE (0.40) JAK2LRRK2FGFR1FGFR2FGFR3
SCHEMBL10100673 0.90 JAK2 (0.36) JAK2LRRK2KDRCYP3A4MAPK1

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 JAK2 59/4885LRRK2 856/4885KDR 213/4885

“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.