SCHEMBL5951413

SCHEMBL5951413

Nc1cc(N)nc(S)n1.Nc1cc(N)nc(SCc2cccc(F)c2F)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
CXCR2 P25025 15/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CCR7 P32248 2/20 0.43
CXCR1 P25024 1/20 0.43
MPO P05164 1/20 0.41

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
SCHEMBL3853163 0.93 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CXCR2KDM4E
SCHEMBL490008 0.84 NPC1 (0.48) RAB9ANPC1SMN1; SMN2CXCR2CCR7
SCHEMBL2899683 0.84 NPC1 (0.48) RAB9ANPC1SMN1; SMN2CXCR2CCR7
SCHEMBL3754582 0.81 CXCR2 (0.45) RAB9ANPC1SMN1; SMN2CXCR2KDM4E
SCHEMBL3852995 0.79 CXCR2 (0.49) CXCR2CCR7CXCR1
Dimethylamine SCHEMBL3755681 0.78 CXCR2 (0.46) RAB9ANPC1CXCR2CCR7CXCR1
SCHEMBL490245 0.76 CXCR2 (0.50) CXCR2CCR7
SCHEMBL490032 0.76 CXCR2 (0.47) CXCR2CCR7
SCHEMBL490193 0.75 CXCR2 (0.73) CXCR2CCR7
SCHEMBL28010834 0.75 KMT2A (0.54) CXCR2CCR7

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-20060111569-A1 Thiazolopyrimidines and their use as modulators of chemokine receptor activity BONNERT ROGER 2006-05-25 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-20060111569-A1 Thiazolopyrimidines and their use as modulators of chemokine receptor activity CXCR2, CCR5, CXCR1 RAB9A 2346/4885NPC1 1514/4885SMN1; SMN2 4705/4885

“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.