SCHEMBL13839356

SCHEMBL13839356

Cn1cncc1C#Cc1n[nH]c2ccc(N3CCOCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.42
▸ ITK Q08881 1/20 0.40
▸ FGFR1 P11362 2/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ FGFR4 P22455 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 0.35

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
SCHEMBL13839354 0.93 LRRK2 (0.40) LRRK2ITKFGFR1FLT1NTRK1
SCHEMBL12318030 0.78 LRRK2 (0.50) LRRK2ITKFGFR1FLT1CLK2
SCHEMBL12619743 0.78 AXL (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL13839355 0.77 TDP1 (0.36) LRRK2FGFR1KDM4EALDH1A1MEN1
SCHEMBL12269735 0.75 TDP1 (0.46) LRRK2ITKKDM4EALDH1A1TDP1
SCHEMBL12318033 0.73 LRRK2 (0.51) LRRK2ITKFGFR1FLT1NTRK1
SCHEMBL12269662 0.68 TDP1 (0.38) ITKDYRK1AKDM4EALDH1A1KMT2A
SCHEMBL5945712 0.66 PRKAG1 (0.68) ITKFGFR1FLT1JAK2KDM4E
SCHEMBL5945683 0.65 MEN1 (0.58) LRRK2ITKDYRK1AKDM4EALDH1A1
SCHEMBL16025888 0.63 LRRK2 (0.63) LRRK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — US 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 (1 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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 LRRK2 391/4885ITK 480/4885FGFR1 486/4885

“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.

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