SCHEMBL17092829

SCHEMBL17092829

Cc1cnccc1C(=O)Nc1cnc(-c2cc(-c3ncco3)c(Cl)c(-c3ncco3)c2-c2ncco2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 9/20 0.44
▸ STIM1 Q13586 1/20 0.36
▸ ORAI1 Q96D31 1/20 0.36
▸ ORAI2 Q96SN7 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KIF18A Q8NI77 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ SORT1 Q99523 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ EDNRA P25101 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL17092817 0.89 IL2 (0.49) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5554297 0.83 IL2 (0.48) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5554294 0.81 IL2 (0.56) IL2KIF18AABL1MCL1
SCHEMBL15395770 0.75 IL2 (0.46) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5554205 0.74 IL2 (0.68) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL15395772 0.73 IL2 (0.55) IL2NPC1RAB9AABL1CYP2C19
SCHEMBL5998369 0.73 IL2 (0.45) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5554320 0.73 IL2 (0.47) IL2STIM1ORAI1ORAI2ALOX15
SCHEMBL5550911 0.73 IL2 (0.47) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL2815541 0.72 IL2 (0.46) IL2NPC1ALOX15HTTRAB9A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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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