SCHEMBL2161071

SCHEMBL2161071

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.39
JAK3 P52333 8/20 0.38
AGBL2 Q5U5Z8 1/20 0.38
NPC1 O15118 1/20 0.36
NTRK1 P04629 4/20 0.34
AURKB Q96GD4 3/20 0.34
AURKA O14965 2/20 0.34
PLK4 O00444 1/20 0.34
STK10 O94804 1/20 0.34
PAK4 O96013 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
FER P16591 1/20 0.34
CSNK2A2 P19784 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
FLT3 P36888 1/20 0.34
STAT3 P40763 1/20 0.34
STAT5A P42229 1/20 0.34
CDK3 Q00526 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
SCHEMBL1694119 1.00 JAK2 (0.39) JAK2JAK3AGBL2NPC1NTRK1
SCHEMBL3024437 0.93 L3MBTL1 (0.37) JAK2JAK3AGBL2
SCHEMBL14841256 0.85 L3MBTL1 (0.40) JAK2JAK3
SCHEMBL219174 0.85 L3MBTL1 (0.40) JAK2JAK3
SCHEMBL219175 0.85 L3MBTL1 (0.40) JAK2JAK3
SCHEMBL20303574 0.81 ALDH1A1 (0.36) NPC1APLNRMAPK1KDM4EALDH1A1
SCHEMBL420311 0.77 NR1I2 (0.48) JAK2JAK3NPC1NTRK1APLNR
SCHEMBL1927308 0.77 NR1I2 (0.48) JAK2JAK3NPC1NTRK1APLNR
SCHEMBL1693620 0.77 NR1I2 (0.48) JAK2JAK3NPC1NTRK1APLNR
SCHEMBL12354684 0.77 KMT2A (0.44) ALDH1A1CYP2D6

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 9 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
EP-2152702-B1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2011-08-24 EP disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20100204231-A1 AMINO-THIAZOLYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-08-12 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
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 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 (6 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 JAK2 4/4885JAK3 10/4885AGBL2 3432/4885
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885AGBL2 3705/4885
US-20100204231-A1 AMINO-THIAZOLYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER THPO, TYMP, TPMT JAK2 8/4885JAK3 31/4885AGBL2 3561/4885
US-20150011545-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L JAK2 15/4885JAK3 363/4885AGBL2 3920/4885
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS THPO, MPL, MCL1 JAK2 6/4885JAK3 188/4885AGBL2 3000/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L JAK2 15/4885JAK3 363/4885AGBL2 3920/4885

“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.