SCHEMBL3376599

SCHEMBL3376599

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
UBE2N P61088 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SYK P43405 2/20 0.39
PAX8 Q06710 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
THRB P10828 1/20 0.37
IDH1 O75874 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ABL1 P00519 2/20 0.36
SIRT5 Q9NXA8 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 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
SCHEMBL3449079 0.94 SYK (0.43) MAPTSYKJAK2JAK1TYK2
SCHEMBL3447147 0.92 SYK (0.44) MAPTSYKJAK2JAK1TYK2
SCHEMBL3449178 0.91 SYK (0.43) MAPTKDM4ESAE1UBA2UBE2N
SCHEMBL3448397 0.91 SYK (0.42) MAPTSYKJAK2JAK1TYK2
SCHEMBL3450926 0.90 SYK (0.41) MAPTSYKJAK2JAK1TYK2
SCHEMBL3448893 0.90 SYK (0.48) MAPTKDM4ESAE1UBA2SYK
SCHEMBL3448472 0.90 SYK (0.41) MAPTSYKJAK2JAK1TYK2
SCHEMBL3449686 0.88 SYK (0.40) MAPTSYKJAK2JAK1TYK2
SCHEMBL3375394 0.88 MAPT (0.41) MAPTKDM4ESAE1UBA2UBE2N
SCHEMBL13311986 0.88 SYK (0.39) MAPTSYKJAK2JAK1TYK2

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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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 MAPT 3947/4885KDM4E 3882/4885SAE1 2674/4885

“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.