SCHEMBL17092817

SCHEMBL17092817

O=C(Nc1cnc(-c2cc(-c3ncco3)c(Cl)c(-c3ncco3)c2-c2ncco2)cn1)c1ccncc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 10/20 0.49
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ STIM1 Q13586 2/20 0.36
▸ ORAI1 Q96D31 2/20 0.36
▸ ORAI2 Q96SN7 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MALT1 Q9UDY8 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
SCHEMBL17092829 0.89 IL2 (0.44) IL2ADORA3ADORA2AADORA2BCYP2C19
SCHEMBL5550491 0.83 IL2 (0.54) IL2ADORA3ADORA2AADORA2BCYP2C19
SCHEMBL5554205 0.79 IL2 (0.68) IL2ADORA3ADORA2AADORA2BCYP2C19
SCHEMBL15395982 0.73 IL2 (0.55) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5999084 0.73 IL2 (0.51) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL12155598 0.73 STIM1 (0.65) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5550941 0.73 IL2 (0.53) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL12155970 0.72 IL2 (0.52) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL5554297 0.72 IL2 (0.48) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5550500 0.72 IL2 (0.54) IL2ADORA2BSTIM1ORAI1ORAI2

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 21/4885ADORA3 548/4885ADORA2A 805/4885

“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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