SCHEMBL2492410

SCHEMBL2492410

O=C(O)c1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.60
JAK1 P23458 3/20 0.60
HDAC1 Q13547 3/20 0.60
JAK2 O60674 2/20 0.60
JAK3 P52333 2/20 0.60
RET P07949 1/20 0.60
TYK2 P29597 1/20 0.60
FLT3 P36888 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
PSMB1 P20618 2/20 0.55
PSMB5 P28074 2/20 0.55
PSMB2 P49721 1/20 0.55
LTA4H P09960 2/20 0.55
KDM4E B2RXH2 2/20 0.54
PTK2 Q05397 1/20 0.53
HRH3 Q9Y5N1 3/20 0.53
BRAF P15056 1/20 0.53
HRH2 P25021 1/20 0.52
BACE1 P56817 3/20 0.51

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
SCHEMBL2499030 0.89 BRD4 (0.59) BRD4JAK1HDAC1JAK2JAK3
SCHEMBL2497734 0.88 KDM4E (0.64) BRD4JAK1HDAC1JAK2JAK3
SCHEMBL2498311 0.86 POLB (0.53) BRD4JAK1HDAC1JAK2JAK3
SCHEMBL31745353 0.83 JAK1 (0.59) BRD4JAK1HDAC1JAK2JAK3
SCHEMBL2498482 0.83 BACE1 (0.63) BRD4JAK1HDAC1JAK2JAK3
SCHEMBL4254804 0.81 AXL (0.64) JAK2JAK3LTA4HPTK2HRH3
SCHEMBL5686484 0.81 EGFR (0.54) BRD4JAK1HDAC1JAK2JAK3
SCHEMBL6442924 0.80 PSMB1 (0.77) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL2499009 0.80 LTA4H (0.62) BRD4JAK1HDAC1JAK2JAK3
SCHEMBL5995982 0.80 BRD4 (0.54) BRD4JAK1HDAC1JAK2JAK3

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 BRD4 828/4885JAK1 78/4885HDAC1 4080/4885

“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.