SCHEMBL1749641

SCHEMBL1749641

CCOC(=O)c1nc(-c2cccc(O)c2)nc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.41
CSNK1D P48730 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MERTK Q12866 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
BRAF P15056 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
FAAH O00519 4/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
ALOX15 P16050 1/20 0.35
MLLT1 Q03111 1/20 0.34

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
SCHEMBL1749640 1.00 BTK (0.41) BTKCSNK1DCKS1BSKP1SKP2
SCHEMBL4375798 0.90 BTK (0.39) BTKCSNK1DCKS1BSKP1SKP2
SCHEMBL1749302 0.80 BTK (0.41) BTKCKS1BSKP1SKP2MERTK
SCHEMBL1749305 0.80 BTK (0.41) BTKCKS1BSKP1SKP2MERTK
SCHEMBL1749438 0.78 PIK3CB (0.55) CSNK1DCKS1BSKP1SKP2
SCHEMBL1749439 0.78 PIK3CB (0.55) CSNK1DCKS1BSKP1SKP2
SCHEMBL4714087 0.74 ALDH1A1 (0.52) BTKCKS1BSKP1SKP2MERTK
SCHEMBL4714088 0.74 ALDH1A1 (0.52) BTKCKS1BSKP1SKP2MERTK
SCHEMBL22411335 0.73 ALOX15 (0.47) JAK2JAK3ALOX15
SCHEMBL29363185 0.73 ALOX15 (0.47) JAK2JAK3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 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 (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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 BTK 22/4885CSNK1D 585/4885CKS1B 227/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC BTK 49/4885CSNK1D 832/4885CKS1B 285/4885

“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.