SCHEMBL2498482

SCHEMBL2498482

Nc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.63
AXL P30530 9/20 0.63
LTA4H P09960 1/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
BRAF P15056 1/20 0.56
JAK2 O60674 1/20 0.56
BRD4 O60885 1/20 0.56
RET P07949 1/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
FLT3 P36888 1/20 0.56
JAK3 P52333 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
INSR P06213 1/20 0.55

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 0.87 JAK1 (0.59) BACE1AXLLTA4HBRAFJAK2
SCHEMBL12190209 0.85 SRC (0.56) BACE1AXLLTA4HBRAFJAK2
SCHEMBL4254804 0.85 AXL (0.64) BACE1AXLLTA4HPTGS2BRAF
SCHEMBL270422 0.83 JAK1 (0.63) BACE1AXLBRAFJAK2BRD4
SCHEMBL2492410 0.83 BRD4 (0.60) BACE1AXLLTA4HBRAFJAK2
SCHEMBL2499009 0.82 LTA4H (0.62) BACE1AXLLTA4HPTGS1PTGS2
SCHEMBL2499030 0.82 BRD4 (0.59) BACE1AXLLTA4HBRAFJAK2
SCHEMBL13605293 0.82 MCHR1 (0.61) BACE1AXLLTA4HBRAFJAK2
SCHEMBL17915915 0.81 BRAF (0.56) BACE1AXLBRAFJAK2BRD4
SCHEMBL2497734 0.81 KDM4E (0.64) BACE1AXLLTA4HBRAFJAK2

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 BACE1 4437/4885AXL 56/4885LTA4H 3257/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 BACE1 4765/4885AXL 31/4885LTA4H 3983/4885

“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.