SCHEMBL2497734

SCHEMBL2497734

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
JAK1 P23458 4/20 0.61
BRD4 O60885 3/20 0.61
HDAC1 Q13547 3/20 0.61
JAK2 O60674 3/20 0.61
JAK3 P52333 3/20 0.61
TYK2 P29597 2/20 0.61
RET P07949 1/20 0.61
FLT3 P36888 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
PSMB1 P20618 2/20 0.53
PSMB5 P28074 2/20 0.53
PSMB2 P49721 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
BRAF P15056 1/20 0.51
LTA4H P09960 2/20 0.50
AXL P30530 4/20 0.49
BACE1 P56817 2/20 0.49
PTK2 Q05397 1/20 0.49

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
SCHEMBL2492410 0.88 BRD4 (0.60) KDM4EJAK1BRD4HDAC1JAK2
SCHEMBL2499030 0.87 BRD4 (0.59) KDM4EJAK1BRD4HDAC1JAK2
SCHEMBL2498478 0.87 KDM4E (0.54) KDM4EJAK1BRD4HDAC1JAK2
Hydrochloric Acid SCHEMBL28682496 0.84 JAK2 (0.80) KDM4EJAK1BRD4HDAC1JAK2
SCHEMBL31745353 0.83 JAK1 (0.59) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL2229668 0.83 KDM4E (0.90) KDM4EPSMB1PSMB5PSMB2HRH3
SCHEMBL5681637 0.81 KDM4E (0.92) KDM4EPSMB1PSMB5PSMB2HRH3
SCHEMBL5686484 0.81 EGFR (0.54) KDM4EJAK1BRD4HDAC1JAK2
SCHEMBL2498482 0.81 BACE1 (0.63) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL13605293 0.81 MCHR1 (0.61) JAK1BRD4HDAC1JAK2JAK3

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 6 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

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 KDM4E 630/4885JAK1 78/4885BRD4 828/4885

“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.