SCHEMBL3376497

SCHEMBL3376497

CC(C)(C)OC(=O)CS(=O)(=O)c1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.36
SYK P43405 7/20 0.34
GAK O14976 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
JAK2 O60674 1/20 0.34
EGFR P00533 2/20 0.33
ERBB2 P04626 1/20 0.33
CSNK1A1 P48729 1/20 0.33
PTK2 Q05397 1/20 0.33
MET P08581 1/20 0.33
JAK1 P23458 1/20 0.33
HDAC1 Q13547 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
SCHEMBL3447449 0.90 SYK (0.37) IDH2SYKMAPTNPSR1JAK2
SCHEMBL3450260 0.84 GAK (0.42) IDH2SYKGAKJAK2
SCHEMBL3449400 0.83 IDH2 (0.39) IDH2SYKGAKMAPTNPSR1
SCHEMBL3451147 0.83 SYK (0.38) SYKMAPTNPSR1EGFRCSNK1A1
SCHEMBL3451565 0.83 SYK (0.42) IDH2SYKGAK
SCHEMBL3374661 0.82 SYK (0.45) SYKMAPTNPSR1EGFRCSNK1A1
SCHEMBL3452633 0.81 TYRO3 (0.36) SYKMAPTNPSR1JAK2EGFR
SCHEMBL3452635 0.81 TYRO3 (0.36) SYKMAPTNPSR1JAK2EGFR
SCHEMBL3450532 0.81 TYRO3 (0.35) SYKMAPTNPSR1JAK2EGFR
SCHEMBL3448982 0.81 TYRO3 (0.35) SYKMAPTNPSR1JAK2EGFR

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 IDH2 1053/4885SYK 804/4885GAK 2716/4885

“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.