SCHEMBL13640659

SCHEMBL13640659

Cc1cccc(F)c1C(=O)Nc1ccc(-c2cc(-c3cnco3)sc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.51
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IMPDH2 P12268 3/20 0.45
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
TNF P01375 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
HTT P42858 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ORAI2 Q96SN7 1/20 0.39

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
SCHEMBL5033771 0.95 IL2 (0.56) IL2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL13640610 0.86 IL2 (0.44) IL2KDM4EALDH1A1STIM1ORAI1
SCHEMBL2885792 0.84 IL2 (0.54) IL2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL5029725 0.84 IL2 (0.56) IL2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL2891235 0.83 IL2 (0.51) IL2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL13640609 0.81 IL2 (0.57) IL2STIM1ORAI1TNFJAK2
SCHEMBL4769462 0.81 IL2 (0.61) IL2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL5033797 0.81 IL2 (0.46) IL2KDM4EALDH1A1STIM1ORAI1
SCHEMBL2305773 0.80 IL2 (0.54) IL2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL5032109 0.80 NPC1 (0.46) KDM4ENPC1ALDH1A1RAB9AMAPK1

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-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 US 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-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885KDM4E 2266/4885NPC1 199/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885KDM4E 2266/4885NPC1 199/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 IL2 23/4885KDM4E 895/4885NPC1 640/4885

“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.