SCHEMBL2499009

SCHEMBL2499009

O=[N+]([O-])c1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.62
PTGS2 P35354 3/20 0.62
PTGS1 P23219 2/20 0.62
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
HRH3 Q9Y5N1 3/20 0.56
JAK2 O60674 2/20 0.52
JAK3 P52333 2/20 0.52
BRD4 O60885 2/20 0.52
JAK1 P23458 2/20 0.52
HDAC1 Q13547 2/20 0.52
BRAF P15056 1/20 0.52
RET P07949 1/20 0.52
TYK2 P29597 1/20 0.52
FLT3 P36888 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
BACE1 P56817 3/20 0.50
AXL P30530 3/20 0.50

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
SCHEMBL31745353 0.82 JAK1 (0.59) LTA4HHRH3JAK2JAK3BRD4
SCHEMBL2498482 0.82 BACE1 (0.63) LTA4HPTGS2PTGS1JAK2JAK3
SCHEMBL2495155 0.81 KCNJ1 (0.54) LTA4HHRH3
SCHEMBL519633 0.81 LTA4H (0.91) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL2492410 0.80 BRD4 (0.60) LTA4HKDM4EHRH3JAK2JAK3
SCHEMBL4254804 0.80 AXL (0.64) LTA4HPTGS2HRH3JAK2JAK3
SCHEMBL4992188 0.80 LTA4H (0.89) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL270373 0.79 BRD4 (0.69) LTA4HPTGS2HRH3JAK2JAK3
SCHEMBL2499030 0.79 BRD4 (0.59) LTA4HKDM4EHRH3JAK2JAK3
Hydrochloric Acid SCHEMBL266837 0.79 BRD4 (0.68) LTA4HPTGS2HRH3JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK LTA4H 3257/4885PTGS2 2882/4885PTGS1 2666/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 LTA4H 3983/4885PTGS2 1708/4885PTGS1 2192/4885

“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.