SCHEMBL3448160

SCHEMBL3448160

COc1cc(C#N)cc(Nc2ncc(-c3cccc(C=CC(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.37
SYK P43405 4/20 0.37
MAPK3 P27361 1/20 0.36
EGFR P00533 3/20 0.36
BTK Q06187 2/20 0.36
KDR P35968 2/20 0.36
CDK1 P06493 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AXL P30530 1/20 0.34

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
SCHEMBL3448156 1.00 IDH1 (0.37) IDH1SYKMAPK3EGFRBTK
SCHEMBL3448626 0.94 MAPK3 (0.40) SYKMAPK3EGFRBTKKDR
SCHEMBL3448610 0.94 MAPK3 (0.40) SYKMAPK3EGFRBTKKDR
SCHEMBL13312476 0.90 THRB (0.37) IDH1SYKMAPK3EGFRBTK
SCHEMBL3451797 0.90 SYK (0.43) IDH1SYKEGFRBTKCNR2
SCHEMBL3451794 0.90 SYK (0.43) IDH1SYKEGFRBTKCNR2
SCHEMBL13311739 0.89 MAPK3 (0.40) SYKMAPK3EGFRBTKKDR
SCHEMBL3448270 0.89 SYK (0.37) SYKMAPK3EGFRBTKKDR
SCHEMBL3448273 0.89 SYK (0.37) SYKMAPK3EGFRBTKKDR
SCHEMBL3448776 0.88 THRB (0.39) SYKMAPK3EGFRBTKKDR

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 2 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

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 IDH1 718/4885SYK 804/4885MAPK3 2827/4885

“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.