SCHEMBL2845052

SCHEMBL2845052

Cc1ccc(Oc2cccnc2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
IL2 P60568 7/20 0.53
ABL1 P00519 1/20 0.52
LMNA P02545 2/20 0.52
TLR8 Q9NR97 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
NOD2 Q9HC29 1/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46

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
SCHEMBL2305750 0.89 IL2 (0.56) NPC1GAAHPGDRAB9AIL2
SCHEMBL4768204 0.85 IL2 (0.60) IL2ABL1LMNAHTTJAK2
SCHEMBL2309804 0.82 IL2 (0.55) NPC1GAAHPGDRAB9AIL2
SCHEMBL2309044 0.80 IL2 (0.53) IL2ABL1LMNAHTTJAK2
SCHEMBL2311019 0.80 IL2 (0.53) IL2ABL1LMNAHTTJAK2
SCHEMBL8193723 0.80 TYK2 (0.62) IL2ABL1LMNAHTTJAK2
SCHEMBL16456526 0.79 IL2 (0.56) RAB9AIL2HTTJAK2JAK1
SCHEMBL4766353 0.79 IL2 (0.63) IL2LMNAHTTJAK2JAK1
SCHEMBL1828207 0.77 IL2 (0.63) NPC1RAB9AIL2SMN1; SMN2HTT
SCHEMBL2311041 0.77 IL2 (0.53) IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-08-02 US claimed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US claimed
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-13 US disclosed
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-13 US disclosed
US-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-08-02 US disclosed
US-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-08-02 US disclosed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
WO-2010039238-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 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 (3 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-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 NPC1 190/4885GAA 573/4885HPGD 687/4885
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 NPC1 190/4885GAA 573/4885HPGD 687/4885
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 NPC1 190/4885GAA 573/4885HPGD 687/4885

“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.