SCHEMBL3452586

SCHEMBL3452586

Cc1cc(C(F)(F)F)nn1-c1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ KCNN3 Q9UGI6 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ AXL P30530 2/20 0.36
▸ CCNB2 O95067 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35

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
SCHEMBL13312718 0.89 PLK1 (0.37) PIK3CGKCNN3STK17AULK1PTGS2
SCHEMBL3451592 0.88 MAPK1 (0.41) KCNN3STK17AULK1AXL
SCHEMBL13312721 0.88 NPC1 (0.40) ULK1AXLCDK1CCNB1CCNT1
SCHEMBL3448975 0.86 CSNK2A1 (0.39) SYKKCNN3STK17AULK1
SCHEMBL3451499 0.86 SYK (0.39) SYKPIK3CGSTK17AULK1PTGS2
SCHEMBL3449000 0.86 SYK (0.39) SYKKCNN3STK17AULK1
SCHEMBL13312538 0.85 ACVR1B (0.37) KCNN3STK17A
SCHEMBL3451594 0.85 MAPK1 (0.45) KCNN3STK17AULK1CA12CA1
SCHEMBL3451426 0.84 JAK1 (0.36) STK17A
SCHEMBL3448702 0.83 SYK (0.44) SYKSTK17AAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD SYK 804/4885PIK3CB 2677/4885PIK3CG 3117/4885

“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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