SCHEMBL4489904

SCHEMBL4489904

COc1cc(Nc2ncc(C(N)=O)cn2)ccc1OCCNC(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.48
MAPK9 P45984 1/20 0.48
SYK P43405 6/20 0.47
MAPK1 P28482 1/20 0.42
EGFR P00533 2/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
MAPT P10636 1/20 0.41
FLT3 P36888 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ITK Q08881 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4481313 0.79 EHMT2 (0.47) MAPK8MAPK9SYK
SCHEMBL8682666 0.76 MAPT (0.56) MAPK8MAPK9EGFRCDK4CCND1
SCHEMBL8686302 0.76 MAPK8 (0.57) MAPK8MAPK9EGFRCDK4CCND1
SCHEMBL4492858 0.75 CHRNB4 (0.53) MAPK8MAPK9SYKMAPK1MAPT
SCHEMBL14558167 0.74 TSHR (0.61) KDM4E
SCHEMBL4485439 0.73 SYK (0.59) MAPK8MAPK9SYKMAPK1FLT3
SCHEMBL11390594 0.73 FAAH (0.52) MAPK1SMN1; SMN2KDM4E
SCHEMBL8003660 0.73 NPSR1 (0.50) MAPTSMN1; SMN2HDAC1HDAC2
SCHEMBL4818408 0.72 KDR (0.45) MAPK8MAPK9SYKMAPK1FLT3
SCHEMBL7869909 0.72 SMN1; SMN2 (0.52) MAPK1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 MAPK8 3452/4885MAPK9 4452/4885SYK 1151/4885

“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.