SCHEMBL3024437

SCHEMBL3024437

CC(=O)N[C@@H](C)c1ncc(F)cn1.C[C@H](NC(=O)O)c1ncc(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
JAK2 O60674 2/20 0.36
ACACB O00763 13/20 0.35
JAK3 P52333 1/20 0.35
POLB P06746 1/20 0.35
AGBL2 Q5U5Z8 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
SCHEMBL14841256 0.93 L3MBTL1 (0.40) L3MBTL1JAK2ACACBJAK3POLB
SCHEMBL219174 0.93 L3MBTL1 (0.40) L3MBTL1JAK2ACACBJAK3POLB
SCHEMBL2161071 0.93 JAK2 (0.39) JAK2JAK3AGBL2
SCHEMBL1694119 0.93 JAK2 (0.39) JAK2JAK3AGBL2
SCHEMBL219175 0.93 L3MBTL1 (0.40) L3MBTL1JAK2ACACBJAK3POLB
SCHEMBL20303574 0.76 ALDH1A1 (0.36) L3MBTL1ACACBPOLB
SCHEMBL23666760 0.73 L3MBTL1 (0.47) L3MBTL1ACACB
SCHEMBL588472 0.72 APLNR (0.48) L3MBTL1JAK2ACACBJAK3POLB
SCHEMBL588473 0.72 APLNR (0.48) L3MBTL1JAK2ACACBJAK3POLB
SCHEMBL12069877 0.72 APLNR (0.48) L3MBTL1JAK2ACACBJAK3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011545-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-20140155394-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2014-06-05 US disclosed
US-20100204246-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO (4,5-B) PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-08-12 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 (3 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-20100204246-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO (4,5-B) PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ABL1, MCL1, ETV6 L3MBTL1 3959/4885JAK2 4/4885ACACB 2666/4885
US-20150011545-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L L3MBTL1 4607/4885JAK2 15/4885ACACB 1847/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L L3MBTL1 4607/4885JAK2 15/4885ACACB 1847/4885

“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.