SCHEMBL3954048

SCHEMBL3954048

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 2/20 1.00
▸ FLT3 P36888 2/20 1.00
▸ TTK P33981 5/20 0.81
▸ ALK Q9UM73 15/20 0.68
▸ INSR P06213 3/20 0.64
▸ GAK O14976 2/20 0.64
▸ IGF1R P08069 2/20 0.64
▸ INSRR P14616 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ LTK P29376 2/20 0.64
▸ CLK1 P49759 2/20 0.64
▸ PTK2 Q05397 2/20 0.64
▸ TNK2 Q07912 2/20 0.64
▸ TNK1 Q13470 2/20 0.64
▸ PTK2B Q14289 2/20 0.64
▸ ZAP70 P43403 2/20 0.62
▸ BMPR1B O00238 1/20 0.61
▸ PLK4 O00444 1/20 0.61
▸ STK25 O00506 1/20 0.61
▸ RIOK3 O14730 1/20 0.61

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
SCHEMBL3958582 0.93 FES (0.87) FESFLT3TTKALKINSR
SCHEMBL3954360 0.93 FES (0.86) FESFLT3TTKALKINSR
SCHEMBL3959279 0.92 FES (0.84) FESFLT3TTKALKINSR
SCHEMBL4045834 0.91 FES (0.84) FESFLT3TTKALKINSR
SCHEMBL3953410 0.90 FES (0.82) FESFLT3TTKALKINSR
SCHEMBL17731666 0.90 TTK (1.00) FESFLT3TTKALKINSR
SCHEMBL3959984 0.89 FES (0.80) FESFLT3TTKALKINSR
SCHEMBL14866359 0.88 TTK (0.81) FESFLT3TTKALKINSR
SCHEMBL18018796 0.86 TTK (0.80) FESFLT3TTKALKINSR
SCHEMBL30381944 0.85 TTK (1.00) FESFLT3TTKALKINSR

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
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 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-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

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 4356/4885TTK 1181/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 FES 4037/4885FLT3 4356/4885TTK 1181/4885

“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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