SCHEMBL6079730

SCHEMBL6079730

CNc1nc(Nc2ccc(C(C)S(C)(=O)=O)cc2)ncc1-c1ccc2c(C)n(C)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
ABCB11 O95342 2/20 0.41
KDR P35968 11/20 0.39
KIT P10721 5/20 0.39
PDGFRA P16234 5/20 0.39
FLT1 P17948 4/20 0.39
FLT4 P35916 4/20 0.39
MAP4K1 Q92918 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
ABCC4 O15439 1/20 0.39
RIPK2 O43353 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL6079214 0.91 KDR (0.42) BTKABCB11KDRKITPDGFRA
SCHEMBL6079571 0.86 BTK (0.44) BTKABCB11KDRKITPDGFRA
SCHEMBL589242 0.86 MAP4K1 (0.47) BTKABCB11KDRKITPDGFRA
SCHEMBL6079973 0.85 BTK (0.41) BTKABCB11KDRKITPDGFRA
SCHEMBL588644 0.81 PKMYT1 (0.47) BTKABCB11KDRKITPDGFRA
SCHEMBL6079111 0.81 BTK (0.40) BTKABCB11KDRKITPDGFRA
SCHEMBL2783461 0.80 KDR (0.43) BTKABCB11KDRKITPDGFRA
SCHEMBL588872 0.73 LRRK2 (0.43) KDRFLT1FLT4PARP1
SCHEMBL4981812 0.68 MAP4K1 (0.46) MAP4K1RIPK2JAK2CSF1RFLT3
Hydrochloric Acid SCHEMBL29198418 0.68 BTK (0.63) BTKABCB11KDRKITPDGFRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252943-A1 Chemical process SMITHKLINE BEECHAM CORPORATION 2006-11-09 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-20060252943-A1 Chemical process KDR, FLT4, FLT1 BTK 301/4885ABCB11 4585/4885KDR 1/4885

“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.