SCHEMBL8257494

SCHEMBL8257494

COc1ccc(C)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.66
▸ STIM1 Q13586 1/20 0.52
▸ ORAI1 Q96D31 1/20 0.52
▸ ORAI2 Q96SN7 1/20 0.52
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL15395991 0.92 IL2 (0.56) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL5550953 0.89 IL2 (0.66) IL2STIM1ORAI1ORAI2POLB
SCHEMBL15395771 0.87 IL2 (0.65) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL15214056 0.85 IL2 (0.54) IL2STIM1ORAI1ORAI2POLB
SCHEMBL15395892 0.85 STIM1 (0.63) IL2STIM1ORAI1ORAI2POLB
SCHEMBL15395773 0.84 STIM1 (0.57) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL15395893 0.84 IL2 (0.65) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL15395777 0.83 STIM1 (0.63) IL2STIM1ORAI1ORAI2POLB
SCHEMBL1701939 0.82 IL2 (0.58) IL2STIM1ORAI1ORAI2POLB
SCHEMBL15395954 0.82 ORAI1 (0.54) IL2STIM1ORAI1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493427-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2016-11-15 — — US disclosed
US-20150266829-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2015-09-24 — — US disclosed
US-9090570-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2015-07-28 — — US disclosed
US-20130309272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-21 — — US disclosed
WO-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — 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-20150266829-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR9, CXCR2 IL2 21/4885STIM1 2094/4885ORAI1 1129/4885
US-20130309272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR9, CXCR2 IL2 22/4885STIM1 2122/4885ORAI1 1101/4885

“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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