SCHEMBL3448273

SCHEMBL3448273

COc1cc(C#N)cc(Nc2ncc(-c3cccc(C=CC(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.37
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPK3 P27361 1/20 0.36
EGFR P00533 3/20 0.35
BTK Q06187 1/20 0.35
KDR P35968 2/20 0.35
CDK1 P06493 1/20 0.35
CNR2 P34972 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AXL P30530 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3448270 1.00 SYK (0.37) SYKTHRBHTTMAPK3EGFR
SCHEMBL3448845 0.94 THRB (0.40) SYKTHRBHTTMAPK3EGFR
SCHEMBL3448834 0.94 THRB (0.40) SYKTHRBHTTMAPK3EGFR
SCHEMBL3451737 0.91 IDH1 (0.39) SYKCNR2
SCHEMBL3451731 0.91 IDH1 (0.39) SYKCNR2
SCHEMBL3450550 0.90 KDR (0.42) SYKTHRBHTTMAPK3BTK
SCHEMBL3450547 0.90 KDR (0.42) SYKTHRBHTTMAPK3BTK
SCHEMBL3449263 0.90 SYK (0.42) SYKEGFRBTKCNR2
SCHEMBL3449260 0.90 SYK (0.42) SYKEGFRBTKCNR2
SCHEMBL13311742 0.89 MAPK3 (0.39) SYKMAPK3EGFRBTKCNR2

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 3 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

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 SYK 804/4885THRB 3527/4885HTT 3861/4885

“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.