SCHEMBL3351030

SCHEMBL3351030

CC(=O)N1CCC(Nc2nc(Nc3ccc(F)c(Cl)c3)ncc2Br)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.59
AURKA O14965 2/20 0.52
AURKB Q96GD4 1/20 0.52
EGFR P00533 4/20 0.51
ERBB2 P04626 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
TBK1 Q9UHD2 1/20 0.51
ALK Q9UM73 1/20 0.51
BTK Q06187 1/20 0.49
FLT3 P36888 2/20 0.49
CHEK1 O14757 1/20 0.49
KIT P10721 1/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
TYRO3 Q06418 1/20 0.48

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
SCHEMBL3448690 0.85 SYK (0.55) SYKEGFRERBB2HPGDHTT
SCHEMBL3449008 0.84 FLT3 (0.48) SYKEGFRERBB2HPGDHTT
SCHEMBL3449012 0.84 FLT3 (0.48) SYKEGFRERBB2HPGDHTT
SCHEMBL3449787 0.83 ALK (0.54) SYKEGFRALK
SCHEMBL3351037 0.83 EGFR (0.49) SYKAURKAAURKBEGFRERBB2
SCHEMBL6215573 0.79 SYK (0.61) SYKAURKAAURKBEGFRFLT3
SCHEMBL13310866 0.79 TYRO3 (0.52) SYKEGFRERBB2HPGDHTT
SCHEMBL3449528 0.78 SELP (0.48) SYKEGFRERBB2HPGDHTT
SCHEMBL3450155 0.78 SELP (0.48) SYKEGFRERBB2HPGDHTT
SCHEMBL3447819 0.78 SELP (0.48) SYKEGFRERBB2HPGDHTT

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 SYK 804/4885AURKA 3990/4885AURKB 3354/4885

“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.