SCHEMBL4051190

SCHEMBL4051190

CCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 3/20 0.72
▸ FLT3 P36888 3/20 0.72
▸ ALK Q9UM73 15/20 0.62
▸ INSR P06213 5/20 0.60
▸ TTK P33981 4/20 0.60
▸ FGFR1 P11362 2/20 0.60
▸ FGFR2 P21802 2/20 0.60
▸ FGFR4 P22455 2/20 0.60
▸ FGFR3 P22607 2/20 0.60
▸ BMPR1B O00238 2/20 0.60
▸ PLK4 O00444 2/20 0.60
▸ GAK O14976 2/20 0.60
▸ ERN1 O75460 2/20 0.60
▸ STK10 O94804 2/20 0.60
▸ ABL1 P00519 2/20 0.60
▸ EGFR P00533 2/20 0.60
▸ LCK P06239 2/20 0.60
▸ FYN P06241 2/20 0.60
▸ YES1 P07947 2/20 0.60
▸ IGF1R P08069 2/20 0.60

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
SCHEMBL29720306 1.00 FES (0.72) FESFLT3ALKINSRTTK
SCHEMBL3958582 0.91 FES (0.87) FESFLT3ALKINSRTTK
SCHEMBL12892763 0.88 ALK (0.77) FESFLT3ALKINSRTTK
SCHEMBL3953410 0.87 FES (0.82) FESFLT3ALKINSRTTK
SCHEMBL12781758 0.87 ALK (0.78) FESFLT3ALKINSRTTK
SCHEMBL4059104 0.85 ALK (0.64) FESFLT3ALKINSRTTK
SCHEMBL3954048 0.84 FES (1.00) FESFLT3ALKINSRTTK
SCHEMBL4045834 0.82 FES (0.84) FESFLT3ALKINSRTTK
SCHEMBL3950992 0.82 ZAP70 (0.63) FESFLT3ALKINSRTTK
SCHEMBL14866516 0.82 ALK (0.86) FESFLT3ALKINSRTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP 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
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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