SCHEMBL3449151

SCHEMBL3449151

CCOC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.40
EGFR P00533 2/20 0.39
ERBB2 P04626 1/20 0.39
SYK P43405 2/20 0.37
MAPT P10636 3/20 0.37
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
BRD4 O60885 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNN3 Q9UGI6 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
SCHEMBL3450642 0.92 EGFR (0.38) P2RX3EGFRERBB2SYKMAPT
SCHEMBL13312597 0.92 SYK (0.38) P2RX3EGFRSYKKCNN3
SCHEMBL3448928 0.89 P2RX3 (0.40) P2RX3EGFRERBB2SYKMAPT
SCHEMBL3448556 0.88 MAPT (0.38) EGFRERBB2SYKMAPTJAK2
Methane SCHEMBL3448558 0.88 EGFR (0.38) EGFRERBB2SYKMAPTJAK2
SCHEMBL3447786 0.87 EGFR (0.37) P2RX3EGFRERBB2SYKMAPT
SCHEMBL3451285 0.86 AXL (0.37) EGFRSYKGAAKCNN3
SCHEMBL3449999 0.86 AXL (0.42) EGFRERBB2SYKBRD4
SCHEMBL3448528 0.86 EGFR (0.41) P2RX3EGFRERBB2SYKMAPT
SCHEMBL3376401 0.85 CSNK2A1 (0.36) EGFRSYKKMT2AKCNN3

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 4 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

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 P2RX3 964/4885EGFR 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.