SCHEMBL18018795

SCHEMBL18018795

Cc1cc(Nc2nc(Nc3ccccc3S(C)(=O)=O)c3nc[nH]c3n2)c(OC(C)C)cc1C1CCN(C)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.69
▸ INSR P06213 15/20 0.69
▸ NPM1 P06748 11/20 0.69
▸ KCNH2 Q12809 6/20 0.69
▸ CYP3A4 P08684 3/20 0.69
▸ ABL1 P00519 1/20 0.66
▸ EGFR P00533 1/20 0.66
▸ ERBB2 P04626 1/20 0.66
▸ LCK P06239 1/20 0.66
▸ RET P07949 1/20 0.66
▸ IGF1R P08069 1/20 0.66
▸ MET P08581 1/20 0.66
▸ PDGFRA P16234 1/20 0.66
▸ CDK2 P24941 1/20 0.66
▸ AKT1 P31749 1/20 0.66
▸ KDR P35968 1/20 0.66
▸ GSK3B P49841 1/20 0.66
▸ PLK1 P53350 1/20 0.66
▸ EPHB4 P54760 1/20 0.66
▸ BTK Q06187 1/20 0.66

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
SCHEMBL1545736 0.94 ALK (0.78) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12388978 0.94 ALK (0.69) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL18018794 0.91 ALK (0.68) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL14110119 0.88 ALK (0.74) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL14693665 0.87 ALK (0.89) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL4048849 0.86 ALK (0.88) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1951192 0.86 ALK (0.73) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1545767 0.85 ALK (0.87) ALKINSRNPM1KCNH2ABL1
SCHEMBL12547829 0.85 ALK (0.71) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL3960696 0.84 ALK (0.68) ALKINSRNPM1KCNH2CYP3A4

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 5 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

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 ALK 4666/4885INSR 3775/4885NPM1 2147/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 ALK 4666/4885INSR 3775/4885NPM1 2147/4885

“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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