SCHEMBL10100403

SCHEMBL10100403

CC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCCC4)c(F)c3F)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
BTK Q06187 1/20 0.34
MAPK1 P28482 2/20 0.33
FGFR1 P11362 2/20 0.33
ACVRL1 P37023 2/20 0.33
ACVR1 Q04771 2/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
KDR P35968 2/20 0.32
AURKB Q96GD4 2/20 0.32
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
BMPR1B O00238 1/20 0.32
HTR2A P28223 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
SCHEMBL10100434 0.99 JAK2 (0.36) JAK2BTKMAPK1FGFR1ACVRL1
SCHEMBL2360012 0.96 JAK2 (0.38) JAK2BTKMAPK1FGFR1FGFR2
SCHEMBL10100673 0.96 JAK2 (0.36) JAK2BTKMAPK1FGFR1LRRK2
SCHEMBL10100671 0.96 JAK2 (0.38) JAK2BTKMAPK1FGFR1FGFR2
SCHEMBL10100669 0.95 JAK2 (0.36) JAK2BTKMAPK1FGFR1FGFR2
SCHEMBL10100713 0.94 JAK2 (0.36) JAK2BTKMAPK1FGFR1ACVRL1
SCHEMBL10100431 0.94 JAK2 (0.35) JAK2BTKMAPK1FGFR1ACVRL1
SCHEMBL10100458 0.93 JAK2 (0.35) JAK2BTKMAPK1FGFR1FGFR2
SCHEMBL10100385 0.90 LRRK2 (0.40) BTKMAPK1FGFR1ACVRL1ACVR1
SCHEMBL10100670 0.90 LRRK2 (0.39) JAK2FGFR1FGFR2FGFR3LRRK2

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 59/4885BTK 388/4885MAPK1 357/4885

“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.