SCHEMBL4182844

SCHEMBL4182844

CCn1cc(-c2cc(O)c3ccc(OC)c(C)c3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
PIM1 P11309 2/20 0.40
ABL1 P00519 6/20 0.38
CSF1R P07333 6/20 0.38
LYN P07948 6/20 0.38
TGFBR1 P36897 6/20 0.38
TGFBR2 P37173 6/20 0.38
SIK1 P57059 6/20 0.38
SIK2 Q9H0K1 6/20 0.38
SIK3 Q9Y2K2 6/20 0.38
PRKAB2 O43741 5/20 0.38
PRKAG1 P54619 5/20 0.38
PRKAA1 Q13131 5/20 0.38
FGFR1 P11362 4/20 0.38
FGFR2 P21802 4/20 0.38
FGFR3 P22607 4/20 0.38

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
SCHEMBL4178307 0.91 FGFR1 (0.39) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL4183203 0.88 FGFR1 (0.41) PIM1ABL1FGFR1FGFR2FGFR3
SCHEMBL4185266 0.87 KDM4E (0.41) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL4178056 0.86 PGK1 (0.46) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL4191726 0.86 PRMT5 (0.39) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL13929789 0.85 PLAU (0.45) MAPTCSF1RFGFR1FGFR2FGFR3
SCHEMBL4187139 0.83 FGFR1 (0.45) KDM4EALDH1A1LMNAMAPTCSF1R
SCHEMBL4189829 0.78 FGFR3 (0.39) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL3627208 0.77 TDO2 (0.51) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL4177973 0.75 FGFR1 (0.41) PIM1ABL1FGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 KDM4E 3639/4885ALDH1A1 1406/4885LMNA 1940/4885

“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.