SCHEMBL4056958

SCHEMBL4056958

COc1cc(C2CCCN(C)C2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 2/20 0.68
▸ FLT3 P36888 2/20 0.68
▸ ALK Q9UM73 14/20 0.62
▸ INSR P06213 5/20 0.62
▸ NPM1 P06748 3/20 0.62
▸ KCNH2 Q12809 2/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ TTK P33981 5/20 0.54
▸ MAP4K1 Q92918 2/20 0.52
▸ EGFR P00533 2/20 0.51
▸ ROS1 P08922 2/20 0.51
▸ BMPR1B O00238 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ STK25 O00506 1/20 0.51
▸ RIOK3 O14730 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ CASK O14936 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ DCLK1 O15075 1/20 0.51

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
SCHEMBL18018797 0.86 ALK (0.56) FESFLT3ALKINSRNPM1
SCHEMBL22985876 0.86 FES (0.49) FESFLT3ALKINSRNPM1
SCHEMBL3954476 0.84 ALK (0.57) FESFLT3ALKINSRKCNH2
SCHEMBL4056789 0.84 ALK (0.85) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL4045834 0.83 FES (0.84) FESFLT3ALKINSRNPM1
SCHEMBL4056732 0.83 FES (0.69) FESFLT3ALKINSRNPM1
SCHEMBL3953410 0.81 FES (0.82) FESFLT3ALKINSRNPM1
SCHEMBL3954048 0.81 FES (1.00) FESFLT3ALKINSRNPM1
SCHEMBL3959279 0.78 FES (0.84) FESFLT3ALKINSRNPM1
SCHEMBL4047900 0.78 FES (0.66) FESFLT3ALKINSRNPM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — WO claimed
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 — — US disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 — — US disclosed
WO-2016130920-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-08-18 — — WO disclosed
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 — — WO disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — WO disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — 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-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME LRRK2, PARK7, PINK1 FES 4037/4885FLT3 4356/4885ALK 4666/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 FES 4037/4885FLT3 4356/4885ALK 4666/4885

“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.

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