SCHEMBL18018944

SCHEMBL18018944

C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc2[nH]ccc12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.69
MAP3K7 O43318 9/20 0.69
FGFR1 P11362 9/20 0.69
PTK2 Q05397 2/20 0.69
MAP2K1 Q02750 2/20 0.69
MAPK1 P28482 1/20 0.69
JAK3 P52333 3/20 0.66
BTK Q06187 2/20 0.65
EGFR P00533 2/20 0.65
JAK2 O60674 1/20 0.65
JAK1 P23458 1/20 0.65
KCNH2 Q12809 1/20 0.65
HCK P08631 1/20 0.57

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
SCHEMBL18018945 0.90 MAP3K7 (0.78) SRCMAP3K7FGFR1PTK2MAP2K1
SCHEMBL18018793 0.87 EGFR (0.76) SRCMAP3K7PTK2JAK3BTK
SCHEMBL22807431 0.84 SRC (0.69) SRCMAP3K7FGFR1MAP2K1MAPK1
SCHEMBL22807484 0.82 SRC (0.70) SRCMAP3K7FGFR1MAP2K1MAPK1
SCHEMBL22807435 0.82 MAP3K7 (0.76) SRCMAP3K7FGFR1MAP2K1MAPK1
SCHEMBL29549166 0.82 MAP3K7 (0.76) SRCMAP3K7FGFR1MAP2K1MAPK1
SCHEMBL22828520 0.81 SRC (1.00) SRCMAP3K7FGFR1MAP2K1MAPK1
SCHEMBL31684786 0.81 SRC (1.00) SRCMAP3K7FGFR1MAP2K1MAPK1
SCHEMBL22807490 0.81 SRC (0.83) SRCMAP3K7FGFR1MAP2K1MAPK1
SCHEMBL22807377 0.81 SRC (0.82) SRCMAP3K7FGFR1MAP2K1MAPK1

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 SRC 2948/4885MAP3K7 166/4885FGFR1 3675/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 SRC 2948/4885MAP3K7 166/4885FGFR1 3675/4885

“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.