SCHEMBL12848818

SCHEMBL12848818

O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-c3cccnc3F)ccc1CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.36
CYP2C19 P33261 1/20 0.35
GRIA2 P42262 1/20 0.35
NR4A2 P43354 1/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 2/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
TP53 P04637 4/20 0.33
POLB P06746 2/20 0.33
ABL1 P00519 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL12848821 0.89 DHODH (0.36) DHODHNR4A2MAPTALDH1A1ABL1
SCHEMBL12848432 0.88 TDP1 (0.38) DHODHNR4A2TDP1ALDH1A1TP53
SCHEMBL12848533 0.86 BCL2L1 (0.37) DHODHNR4A2MAPTTDP1MEN1
SCHEMBL12848710 0.86 MAPT (0.35) DHODHNR4A2MAPTTDP1ALDH1A1
SCHEMBL12848715 0.86 ABCB1 (0.40) ABL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL12848430 0.85 VCP (0.37) DHODHNR4A2MAPTALDH1A1GFER
SCHEMBL14222752 0.85 HDAC4 (0.38) DHODHNR4A2MAPTTP53ABL1
SCHEMBL14172542 0.85 MAOB (0.39) DHODHNR4A2MAPTALDH1A1GFER
SCHEMBL12848541 0.85 MAPT (0.35) DHODHNR4A2MAPTMEN1KMT2A
SCHEMBL12848534 0.84 MAPT (0.34) DHODHNR4A2MAPTMEN1KMT2A

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 DHODH 1008/4885CYP2C19 213/4885GRIA2 2709/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 DHODH 1141/4885CYP2C19 1117/4885GRIA2 1422/4885

“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.