SCHEMBL2220748

SCHEMBL2220748

CC(C)(O)COc1cnc(Cl)nc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
PDE2A O00408 4/20 0.33
PDE10A Q9Y233 4/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
PTGS2 P35354 3/20 0.32
NUDT1 P36639 1/20 0.32
PDK2 Q15119 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL26796051 0.80 BRD4 (0.35) BRD4CCL2PTGS2PDK2
SCHEMBL12609890 0.75 MAPT (0.45)
SCHEMBL10636671 0.73 MEN1 (0.45) PTGS2
SCHEMBL5949918 0.73 NQO1 (0.43) BRD4CCL2PDE2APDE10A
SCHEMBL2222115 0.73 CNR2 (0.40) RET
SCHEMBL20089414 0.73 CHRNB2 (0.41) BRD4CCL2PDE2APDE10A
SCHEMBL625665 0.72 KDM4E (0.40) BRD4CCL2
SCHEMBL30699249 0.72 KDM4E (0.40) BRD4CCL2
SCHEMBL16331935 0.72 MCHR1 (0.46) BRD4CCL2PTGS2
SCHEMBL20089009 0.72 PTGS2 (0.38) BRD4CCL2PTGS2RET

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 BRD4 880/4885CCL2 2542/4885PDE2A 3485/4885

“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.