SCHEMBL2222115

SCHEMBL2222115

CC(C)(O)COc1cnc(-c2cccc(Cl)c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
MAOB P27338 1/20 0.40
XPO1 O14980 1/20 0.40
PGR P06401 1/20 0.40
PDE4B Q07343 2/20 0.39
MCHR1 Q99705 2/20 0.39
HRH1 P35367 1/20 0.39
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
RET P07949 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL158829 0.81 CACNA2D1 (0.46) XPO1PDE4BHRH1CYP1A2CYP2C9
SCHEMBL2222224 0.78 PGR (0.48) CNR2MAOBXPO1PGRPDE4B
SCHEMBL2221994 0.77 CLK4 (0.54) CYP1A2CYP2C19MAPTNPC1RAB9A
SCHEMBL2221671 0.77 HSD17B10 (0.43) PDE4BVEGFAFLT1EGLN1EGLN3
SCHEMBL13275689 0.75 FFAR1 (0.40)
SCHEMBL2220748 0.73 BRD4 (0.35) RET
SCHEMBL2222195 0.72 NR1I3 (0.42) CNR2XPO1VEGFAFLT1EGLN1
SCHEMBL2616114 0.72 IDO1 (0.47) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL13273284 0.71 PDE4B (0.50) PDE4BHRH1CYP2C19IDO1
SCHEMBL2223578 0.71 FYN (0.48) PDE4BHRH1MAPTPOLBIDO1

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 5 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

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 CNR2 4107/4885MAOB 2205/4885XPO1 3358/4885

“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.