SCHEMBL18018867

SCHEMBL18018867

C=CC(=O)Nc1ccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]cc(Cl)c23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 6/20 0.73
BTK Q06187 9/20 0.61
JAK3 P52333 7/20 0.61
EGFR P00533 5/20 0.61
JAK2 O60674 3/20 0.61
KCNH2 Q12809 2/20 0.61
JAK1 P23458 2/20 0.61
BLK P51451 2/20 0.61
BMX P51813 1/20 0.61
NUAK1 O60285 1/20 0.58
ITK Q08881 3/20 0.56
MAP2K1 Q02750 4/20 0.56
MAPK1 P28482 3/20 0.56
CTSC P53634 1/20 0.56
FLT3 P36888 1/20 0.56
ABCB11 O95342 1/20 0.56
ESR1 P03372 1/20 0.56
CHRM2 P08172 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56

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
SCHEMBL18018862 0.89 MAP3K7 (0.57) MAP3K7BTKJAK3EGFRJAK2
SCHEMBL18018785 0.84 MAP3K7 (1.00) MAP3K7BTKJAK3EGFRJAK2
SCHEMBL1707115 0.84 EGFR (0.83) MAP3K7BTKJAK3EGFRJAK2
SCHEMBL18018914 0.84 MAP3K7 (0.75) MAP3K7BTKJAK3EGFRJAK2
SCHEMBL15453376 0.83 EGFR (0.76) MAP3K7BTKJAK3EGFRJAK2
SCHEMBL22985866 0.83 MAP3K7 (0.50) MAP3K7BTKJAK3EGFRJAK2
SCHEMBL18018921 0.82 MAP3K7 (0.78) MAP3K7BTKJAK3EGFRJAK2
SCHEMBL18018874 0.81 EGFR (0.77) BTKJAK3EGFRJAK2BLK
SCHEMBL15453553 0.81 EGFR (0.73) MAP3K7BTKJAK3EGFRJAK2
SCHEMBL15453512 0.81 EGFR (0.73) MAP3K7BTKJAK3EGFRJAK2

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 MAP3K7 166/4885BTK 1150/4885JAK3 2087/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 MAP3K7 166/4885BTK 1150/4885JAK3 2087/4885

“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.