SCHEMBL3448556

SCHEMBL3448556

CCOC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1OCCS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
SYK P43405 2/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ITK Q08881 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
BRD4 O60885 1/20 0.34
SCN9A Q15858 6/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 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
SCHEMBL3450987 0.90 EGFR (0.38) MAPTEGFRERBB2SYKCA2
SCHEMBL3447786 0.89 EGFR (0.37) MAPTEGFRERBB2SYKKDM4E
SCHEMBL3449151 0.88 P2RX3 (0.40) MAPTEGFRERBB2SYKKDM4E
SCHEMBL3449999 0.88 AXL (0.42) EGFRERBB2SYKBRD4
SCHEMBL13312587 0.88 SYK (0.35) EGFRSYKITKSCN9A
SCHEMBL3449657 0.87 NPSR1 (0.37) MAPTSYKKDM4EGAATDP1
SCHEMBL3450642 0.87 EGFR (0.38) MAPTEGFRERBB2SYKKDM4E
Methane SCHEMBL3448558 0.87 EGFR (0.38) MAPTEGFRERBB2SYKKDM4E
SCHEMBL3379025 0.87 SYK (0.38) EGFRSYKITK
SCHEMBL3451900 0.85 SYK (0.39) EGFRSYK

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
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 MAPT 3947/4885EGFR 2771/4885ERBB2 2537/4885

“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.