SCHEMBL3344041

SCHEMBL3344041

COc1nc(Nc2cccc(F)c2)ncc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.57
TBK1 Q9UHD2 7/20 0.51
SYK P43405 2/20 0.50
KDR P35968 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
GRM5 P41594 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
BRAF P15056 1/20 0.45
PDPK1 O15530 3/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
AURKA O14965 2/20 0.44

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
SCHEMBL13310454 0.83 IGF1R (0.62) ULK1SYKKDRCDK4CCND1
SCHEMBL3344786 0.82 HDAC3 (0.51) ULK1SYKKDRAURKA
SCHEMBL3448706 0.80 SYK (0.50) TBK1SYKKDRCDK4CCND1
SCHEMBL3345413 0.80 SYK (0.57) TBK1SYKKDRCDK4CCND1
SCHEMBL3344899 0.80 APP (0.54) ULK1SYKKDRAURKA
SCHEMBL2339372 0.79 KDR (0.54) ULK1SYKKDRPDPK1AURKA
SCHEMBL12390729 0.79 KDR (0.54) ULK1SYKKDRPDPK1AURKA
SCHEMBL3344548 0.76 ULK1 (0.47) ULK1SYKKDRMAPTAURKA
SCHEMBL3448802 0.76 IGF1R (0.58) ULK1SYKKDRMAPTAURKA
SCHEMBL19675880 0.75 SYK (0.53) SYKCDK4CCND1CCND2CCND3

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 2054/4885TBK1 1295/4885SYK 804/4885

“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.