SCHEMBL3448740

SCHEMBL3448740

Cc1cc(C(F)(F)F)nn1-c1nc(Nc2ccc3c(c2)OCO3)ncc1-c1cccc(/C=C/C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 6/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
JUN P05412 1/20 0.41
MAPK10 P53779 1/20 0.41
AXL P30530 1/20 0.40
TRPV1 Q8NER1 4/20 0.39
GSK3B P49841 2/20 0.39
CDK2 P24941 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL3448745 1.00 ULK1 (0.43) ULK1MEN1KMT2AALDH1A1JUN
SCHEMBL13311802 0.91 ALDH1A1 (0.42) ULK1MEN1KMT2AALDH1A1JUN
SCHEMBL3450798 0.88 SYK (0.41) ALDH1A1
SCHEMBL3450796 0.88 SYK (0.41) ALDH1A1
SCHEMBL3449779 0.87 ULK1 (0.44) ULK1MEN1KMT2AALDH1A1JUN
SCHEMBL3449774 0.87 ULK1 (0.44) ULK1MEN1KMT2AALDH1A1JUN
SCHEMBL3449941 0.87 SYK (0.41) BTK
SCHEMBL3449936 0.87 SYK (0.41) BTK
SCHEMBL3448035 0.87 SYK (0.42)
SCHEMBL3448038 0.87 SYK (0.42)

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 4 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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD ULK1 2054/4885MEN1 859/4885KMT2A 4408/4885

“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.