SCHEMBL18018965

SCHEMBL18018965

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2ccc(NC(=O)CCl)cc2)c2cc[nH]c2n1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.65
PTK2 Q05397 3/20 0.62
MAP3K7 O43318 1/20 0.61
NUAK2 Q9H093 2/20 0.56
JAK3 P52333 2/20 0.56
NUAK1 O60285 1/20 0.55
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
BTK Q06187 1/20 0.54
KCNH2 Q12809 1/20 0.54
LRRK2 Q5S007 1/20 0.54

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
SCHEMBL18018946 0.92 NUAK2 (0.67) EGFRPTK2NUAK2JAK3NUAK1
SCHEMBL18018967 0.89 MAP3K7 (0.79) EGFRPTK2MAP3K7NUAK2JAK3
SCHEMBL18018787 0.88 MAP3K7 (0.77) EGFRPTK2MAP3K7JAK3JAK2
SCHEMBL18018878 0.82 EGFR (0.79) EGFRPTK2MAP3K7JAK3NUAK1
SCHEMBL10127995 0.81 EGFR (0.80) EGFRPTK2MAP3K7NUAK2JAK3
SCHEMBL18018943 0.79 EGFR (0.69) EGFRPTK2NUAK2JAK3NUAK1
SCHEMBL18018873 0.79 MAP3K7 (0.68) EGFRPTK2MAP3K7JAK3JAK2
SCHEMBL18018877 0.79 MAP3K7 (0.81) EGFRPTK2MAP3K7JAK3JAK2
SCHEMBL30399030 0.78 PTK2 (0.70) EGFRPTK2
SCHEMBL29024144 0.78 PTK2 (0.70) EGFRPTK2

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 2819/4885PTK2 574/4885MAP3K7 166/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 EGFR 2819/4885PTK2 574/4885MAP3K7 166/4885

“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.