SCHEMBL8256950

SCHEMBL8256950

COc1ccc(OC)c(-c2cnc(NC(=O)C3CCCCC3)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.59
▸ ABL1 P00519 5/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ STK17B O94768 2/20 0.48
▸ STK17A Q9UEE5 1/20 0.48
▸ GSK3B P49841 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL15395957 0.89 KMT2A (0.52) ADORA3ABL1MEN1KMT2ASTK17B
SCHEMBL23520278 0.77 ADORA3 (0.65) ADORA3ABL1MEN1KMT2AGSK3B
SCHEMBL1916986 0.76 KMT2A (0.70) ADORA3MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5550953 0.75 IL2 (0.66) ADORA3MEN1KMT2AKDM4E
SCHEMBL5550933 0.75 IL2 (0.56) ADORA3MEN1KMT2AKDM4E
SCHEMBL5550650 0.74 ORAI1 (0.52) ADORA3MEN1KMT2AKDM4E
SCHEMBL8260166 0.74 ALDH1A1 (0.47) ADORA3MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL15395904 0.73 ABL1 (0.52) ABL1KMT2ANPSR1
SCHEMBL26154084 0.73 KMT2A (0.69) ADORA3MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5550956 0.73 ORAI1 (0.67) ADORA3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163478-B Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2013-11-27 — — CN claimed
CN-101163478-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2008-04-16 — — CN claimed
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
CN-101163478-B Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2013-11-27 — — CN disclosed
US-8518950-B2 pyrazinyl, pyrimidinyl and pyridazinyl derivatives such asN-[5-(2-Chloro-5-trifluoromethyl-phenyl)-pyrazin-2-yl]-2,6-difluoro-benzamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-27 — — US disclosed
US-8518950-B2 pyrazinyl, pyrimidinyl and pyridazinyl derivatives such asN-[5-(2-Chloro-5-trifluoromethyl-phenyl)-pyrazin-2-yl]-2,6-difluoro-benzamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-27 — — US disclosed
CN-101163478-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2008-04-16 — — CN 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 (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 ADORA3 548/4885ABL1 3979/4885MEN1 4007/4885

“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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