SCHEMBL3450408

SCHEMBL3450408

COc1cc(Nc2ncc(-c3cncc(C(=O)NCCO)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.38
SYK P43405 4/20 0.38
MAPK14 Q16539 4/20 0.38
GSK3A P49840 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
PTK2 Q05397 1/20 0.36
CNR2 P34972 2/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
DAPK1 P53355 1/20 0.35
PDGFRB P09619 1/20 0.35
PIK3CG P48736 1/20 0.35
BRAF P15056 3/20 0.35
MAPT P10636 1/20 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
SCHEMBL3448211 0.92 AXL (0.36) SRCSYKMAPK14HDAC3HDAC1
SCHEMBL3449201 0.90 PTK2 (0.43) HDAC3HDAC1HDAC2HDAC6PTK2
SCHEMBL3450249 0.89 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6PTK2
SCHEMBL3372935 0.89 HDAC3 (0.39) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450608 0.87 SYK (0.42) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450368 0.87 SYK (0.42) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3447905 0.87 PTK2 (0.39) HDAC3HDAC1HDAC2HDAC6PTK2
SCHEMBL3450658 0.86 HDAC3 (0.42) SRCSYKHDAC3HDAC1HDAC2
SCHEMBL3451467 0.85 JAK1 (0.39) BRAF
SCHEMBL3449599 0.85 SYK (0.41) SYKHDAC3HDAC1HDAC2HDAC6

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 SRC 2378/4885SYK 804/4885MAPK14 1385/4885

“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.