SCHEMBL18018913

SCHEMBL18018913

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2cccc(C(=O)Nc3ccccc3)c2)c2nc[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.51
▸ TTK P33981 5/20 0.51
▸ ALK Q9UM73 4/20 0.49
▸ INSR P06213 3/20 0.49
▸ IGF1R P08069 2/20 0.49
▸ ERBB2 P04626 1/20 0.47
▸ FES P07332 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ DCLK1 O15075 1/20 0.46
▸ MAPK7 Q13164 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ PTK2 Q05397 1/20 0.45

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
SCHEMBL18018892 0.93 TTK (0.50) EGFRTTKALKINSRIGF1R
SCHEMBL18018866 0.92 EGFR (0.49) EGFRTTKALKINSRIGF1R
SCHEMBL18018861 0.91 TTK (0.48) EGFRTTKALKINSRIGF1R
SCHEMBL18018904 0.90 LRRK2 (0.51) EGFRTTKALKINSRIGF1R
SCHEMBL18018891 0.88 TTK (0.48) EGFRTTKALKINSRIGF1R
SCHEMBL18018888 0.87 ALK (0.49) EGFRTTKALKINSRIGF1R
SCHEMBL18018918 0.86 EGFR (0.47) EGFRTTKALKFESPTK2
SCHEMBL18018868 0.85 EGFR (0.47) EGFRTTKALKINSRIGF1R
SCHEMBL18018863 0.85 ALK (0.49) EGFRTTKALKINSRIGF1R
SCHEMBL22985904 0.85 EGFR (0.50) EGFRTTKALKINSRIGF1R

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-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

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 EGFR 2819/4885TTK 1181/4885ALK 4666/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 EGFR 2819/4885TTK 1181/4885ALK 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.

Send feedback