SCHEMBL18018862

SCHEMBL18018862

CN1CCN(c2ccc(Nc3nc(Oc4ccc(NC(=O)CCl)cc4)c4c(Cl)c[nH]c4n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.57
MAP2K1 Q02750 1/20 0.55
ITK Q08881 7/20 0.53
BTK Q06187 7/20 0.51
JAK3 P52333 7/20 0.51
EGFR P00533 6/20 0.51
JAK2 O60674 2/20 0.48
JAK1 P23458 1/20 0.48
KCNH2 Q12809 1/20 0.48
BLK P51451 1/20 0.47
BMX P51813 1/20 0.47

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
SCHEMBL23011296 0.92 MAP3K7 (0.57) MAP3K7MAP2K1ITKBTKJAK3
SCHEMBL18018867 0.89 MAP3K7 (0.73) MAP3K7MAP2K1ITKBTKJAK3
SCHEMBL18018787 0.85 MAP3K7 (0.77) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL18018907 0.84 MAP3K7 (0.57) MAP3K7MAP2K1ITKBTKJAK3
SCHEMBL18018922 0.82 MAP3K7 (0.59) MAP3K7MAP2K1ITKBTKJAK3
SCHEMBL22985887 0.81 EGFR (0.40) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL22985872 0.81 MAP3K7 (0.54) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL22985877 0.81 MAP3K7 (0.53) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL18018943 0.81 EGFR (0.69) ITKBTKJAK3EGFRJAK2
SCHEMBL18018878 0.76 EGFR (0.79) MAP3K7MAP2K1ITKBTKJAK3

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 MAP3K7 166/4885MAP2K1 1655/4885ITK 3892/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 MAP3K7 166/4885MAP2K1 1655/4885ITK 3892/4885

“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.