SCHEMBL8256372

SCHEMBL8256372

Cc1nnsc1C(=O)Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
ORAI1 Q96D31 2/20 0.42
STIM1 Q13586 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
IL2 P60568 1/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
LMNA P02545 2/20 0.41
SORT1 Q99523 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CRACR2A Q9BSW2 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AGTR1 P30556 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AHR P35869 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL5531239 0.87 POLB (0.50) POLBUSP2HTTGAAORAI1
SCHEMBL15395955 0.87 POLB (0.50) POLBUSP2HTTGAAORAI1
SCHEMBL17435137 0.84 AGPAT2 (0.41) POLBHTTGAAORAI1STIM1
SCHEMBL15214068 0.81 POLB (0.42) POLBUSP2HTTORAI1STIM1
SCHEMBL1826606 0.80 IL2 (0.58) POLBUSP2HTTGAAORAI1
SCHEMBL5550966 0.80 IL2 (0.50) GAAORAI1STIM1ORAI2IL2
SCHEMBL12156042 0.80 STIM1 (0.62) POLBUSP2HTTGAAORAI1
SCHEMBL15214065 0.79 POLB (0.42) POLBUSP2HTTORAI1STIM1
SCHEMBL8258395 0.79 POLB (0.42) POLBUSP2HTTGAAORAI1
SCHEMBL15214062 0.79 POLB (0.42) POLBUSP2HTTGAAORAI1

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
EP-1848435-B1 COMPOUNDS AGAINST INFLAMMATIONS AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2016-01-20 EP 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-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
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 POLB 4540/4885USP2 3664/4885HTT 4072/4885

“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.