SCHEMBL12848435

SCHEMBL12848435

O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-c3cnco3)ccc1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.44
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
WNT1 P04628 5/20 0.36
GSK3B P49841 5/20 0.36
DYRK1A Q13627 5/20 0.36
NR4A2 P43354 1/20 0.35
DHODH Q02127 1/20 0.35
ROCK2 O75116 5/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HDAC4 P56524 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IMPDH2 P12268 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL14172694 0.91 IL2 (0.38) IL2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14172682 0.91 IL2 (0.38) IL2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12848880 0.86 IL2 (0.45) IL2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12848819 0.86 MAPT (0.35) ALDH1A1NPC1RAB9ANR4A2DHODH
SCHEMBL12848466 0.85 IL2 (0.35) IL2NR4A2DHODHMEN1KMT2A
SCHEMBL12848710 0.85 MAPT (0.35) ALDH1A1NPC1RAB9ATDP1NR4A2
SCHEMBL12848715 0.84 ABCB1 (0.40) NPC1RAB9A
SCHEMBL14172542 0.83 MAOB (0.39) ALDH1A1NPC1RAB9ANR4A2DHODH
SCHEMBL12848541 0.83 MAPT (0.35) IL2ALDH1A1NPC1RAB9AGSK3B
SCHEMBL12848536 0.83 IDO1 (0.35) ALDH1A1NPC1RAB9ADHODHROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 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 (2 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 IL2 8/4885ALDH1A1 2365/4885KDM4E 1715/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 IL2 5/4885ALDH1A1 644/4885KDM4E 2836/4885

“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.