SCHEMBL16657080

SCHEMBL16657080

CCc1ncc(-c2nn(C)c(=O)o2)cc1-c1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.45
▸ PSMB8 P28062 1/20 0.45
▸ MAPK14 Q16539 1/20 0.42
▸ TNF P01375 1/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ CYP17A1 P05093 2/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ MAPKAPK2 P49137 4/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.37
▸ SREBF2 Q12772 1/20 0.37

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
SCHEMBL15528287 0.88 IL2 (0.52) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL16650120 0.80 IL2 (0.71) IL2TNFSTIM1ORAI1
SCHEMBL15528033 0.78 NOTUM (0.48) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL16650474 0.78 IL2 (0.69) IL2TNFSTIM1ORAI1
SCHEMBL15528213 0.75 IL2 (0.52) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL15528154 0.73 IL2 (0.65) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL15528177 0.73 IL2 (0.66) IL2TNFSTIM1ORAI1
SCHEMBL16650729 0.71 IL2 (0.65) IL2TNFSTIM1ORAI1
SCHEMBL15528278 0.69 S1PR4 (0.47) IL2TNFSTIM1ORAI1
SCHEMBL12989574 0.67 LPAR1 (0.48) PSMB8MAPK14CYP17A1MAP4K4CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 — — US disclosed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 — — US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 — — US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 — — US disclosed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 — — US disclosed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 — — 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 (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-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2982/4885PSMB8 3848/4885MAPK14 2703/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2982/4885PSMB8 3848/4885MAPK14 2703/4885

“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.

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