SCHEMBL3449686

SCHEMBL3449686

CCOC(=O)c1cncc(-c2cnc(Nc3cc(OC)cc(S(C)(=O)=O)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
JAK3 P52333 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PTGS2 P35354 1/20 0.35
AXL P30530 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
LCK P06239 1/20 0.34
BTK Q06187 1/20 0.34
PTK2 Q05397 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL3449079 0.94 SYK (0.43) SYKJAK3JAK2JAK1TYK2
SCHEMBL3448397 0.92 SYK (0.42) SYKJAK3JAK2JAK1TYK2
SCHEMBL3450926 0.91 SYK (0.41) SYKJAK3JAK2JAK1TYK2
SCHEMBL3452726 0.91 AXL (0.36) SYKJAK2PTGS2AXLTYRO3
SCHEMBL3448472 0.90 SYK (0.41) SYKJAK3JAK2JAK1TYK2
SCHEMBL3449544 0.90 SYK (0.48) SYKJAK3JAK2JAK1TYK2
SCHEMBL13311986 0.88 SYK (0.39) SYKJAK3JAK2JAK1TYK2
SCHEMBL3376599 0.88 MAPT (0.42) SYKJAK3JAK2JAK1TYK2
SCHEMBL3447421 0.88 SYK (0.39) SYKPTGS2AXLSIRT5TYRO3
SCHEMBL3448166 0.87 SYK (0.45) SYKJAK3JAK2JAK1TYK2

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 804/4885JAK3 2419/4885JAK2 1093/4885

“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.