SCHEMBL3774708

SCHEMBL3774708

Nc1cccc2c(N)nc(-c3ncccc3-c3ncnc4[nH]ccc34)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.41
KDR P35968 5/20 0.41
JAK2 O60674 4/20 0.41
DAPK3 O43293 3/20 0.41
PRKD3 O94806 3/20 0.41
MAP4K4 O95819 3/20 0.41
PAK4 O96013 3/20 0.41
CSF1R P07333 3/20 0.41
RET P07949 3/20 0.41
MET P08581 3/20 0.41
PIM1 P11309 3/20 0.41
FGFR1 P11362 3/20 0.41
PRKACA P17612 3/20 0.41
FLT1 P17948 3/20 0.41
LTK P29376 3/20 0.41
GRK5 P34947 3/20 0.41
CSNK1A1 P48729 3/20 0.41
CLK2 P49760 3/20 0.41
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41

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
SCHEMBL3769366 0.85 TGFBR1 (0.38) DYRK1ATGFBR1
SCHEMBL5474088 0.76 CLK4 (0.44) JAK3KDRJAK2MAP4K4CSF1R
SCHEMBL2522143 0.76 ADORA2B (0.36) TGFBR1
SCHEMBL2601265 0.73 JAK2 (0.63) JAK3KDRJAK2DAPK3PRKD3
SCHEMBL28212089 0.70 JAK2 (0.59) JAK3KDRJAK2DAPK3PRKD3
SCHEMBL3639239 0.69 JAK2 (0.54) JAK3KDRJAK2DAPK3PRKD3
SCHEMBL28962329 0.65 KDR (0.55) JAK3KDRJAK2DAPK3PRKD3
Ammonia Solution, Strong SCHEMBL3777371 0.64 TGFBR1 (0.35) KDRPIM1TGFBR1
SCHEMBL24302730 0.64 JAK2 (0.53) JAK3KDRJAK2DAPK3PRKD3
SCHEMBL13885299 0.64 JAK2 (0.63) JAK3KDRJAK2DAPK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-01-02 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US 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-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF JAK3 348/4885KDR 700/4885JAK2 268/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF JAK3 355/4885KDR 873/4885JAK2 285/4885

“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.