SCHEMBL983690

SCHEMBL983690

Cc1nn(C2CCNCC2)c(C)c1-c1cnc(N)c(-c2nnnn2-c2cccc(Cl)c2F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
JAK2 O60674 1/20 0.35
INSR P06213 1/20 0.34
NPM1 P06748 1/20 0.34
ALK Q9UM73 1/20 0.34
MET P08581 4/20 0.34
BRD4 O60885 1/20 0.34
MAP4K3 Q8IVH8 4/20 0.33
KCNN4 O15554 2/20 0.33
EIF2AK3 Q9NZJ5 2/20 0.33
IGF1R P08069 1/20 0.33
CYP3A4 P08684 1/20 0.33
CDK2 P24941 1/20 0.33
KCNH2 Q12809 1/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33

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
SCHEMBL986820 0.92 CHRNB2 (0.35) CHRNB2CHRNA4INSRNPM1ALK
SCHEMBL985759 0.82 JAK2 (0.52) JAK2ALKMETMAP4K3KCNH2
SCHEMBL11946780 0.82 JAK2 (0.38) JAK2ALKMETMAP4K3KCNN4
SCHEMBL987035 0.79 JAK2 (0.49) JAK2ALKMETMAP4K3KCNH2
SCHEMBL986369 0.79 MET (0.48) JAK2ALKMETMAP4K3KCNH2
SCHEMBL986373 0.79 MET (0.48) JAK2ALKMETMAP4K3KCNH2
SCHEMBL988277 0.79 JAK2 (0.36) JAK2ALKMETMAP4K3KCNN4
SCHEMBL984949 0.79 KCNN4 (0.35) CHRNB2CHRNA4JAK2MAP4K3KCNN4
SCHEMBL988154 0.78 MAP4K3 (0.43) CHRNB2CHRNA4JAK2METMAP4K3
SCHEMBL986091 0.75 MET (0.46) JAK2ALKMETMAP4K3KCNH2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 CHRNB2 4546/4885CHRNA4 4749/4885JAK2 33/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CHRNB2 4546/4885CHRNA4 4749/4885JAK2 33/4885

“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.