SCHEMBL3374098

SCHEMBL3374098

COC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAPK1 P28482 4/20 0.39
CSNK2A1 P68400 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
TDO2 P48775 1/20 0.36
IDH1 O75874 2/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
ULK1 O75385 1/20 0.36
AXL P30530 1/20 0.36
PTK2 Q05397 1/20 0.36
CSNK1A1 P48729 1/20 0.36
FGFR1 P11362 1/20 0.35
SYK P43405 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3375503 0.91 SYK (0.40) MAPTMAPK1CSNK2A1IDH1ULK1
SCHEMBL3449602 0.91 SYK (0.41) MAPTMAPK1TDO2IDH1ULK1
SCHEMBL3374661 0.88 SYK (0.45) MAPTCSNK2A1ABL1BCRTYRO3
SCHEMBL3448841 0.87 TYRO3 (0.42) MAPTABL1BCRTYRO3MERTK
SCHEMBL3378656 0.87 PTK2 (0.37) MAPTCSNK2A1ABL1BCRTYRO3
SCHEMBL3449292 0.86 NTRK1 (0.39) MAPTMAPK1CSNK2A1TDO2ULK1
SCHEMBL3448739 0.84 MAPT (0.36) MAPTCSNK2A1TYRO3MERTKULK1
SCHEMBL3451001 0.84 SYK (0.47) CSNK2A1ABL1BCRTYRO3MERTK
SCHEMBL3452335 0.84 IDH1 (0.47) MAPK1IDH1ULK1SYK
SCHEMBL3448901 0.84 EGFR (0.41) CSNK2A1ABL1ULK1PTK2FGFR1

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 5 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
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 3947/4885MAPK1 2905/4885CSNK2A1 1858/4885

“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.