SCHEMBL3600380

SCHEMBL3600380

COC(=O)c1cc(-c2ccccc2Br)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
ALPL P05186 10/20 0.61
MAPT P10636 6/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
CA12 O43570 4/20 0.55
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA9 Q16790 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
HPGDS O60760 1/20 0.52

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
SCHEMBL2631727 0.83 ALPL (0.73) GAAALPLMAPTHTTRAB9A
SCHEMBL29444421 0.81 PLA2G10 (0.54) GAAALPLRAB9ACA12CA2
SCHEMBL2621883 0.81 ALPL (0.65) GAAALPLMAPTHTTRAB9A
SCHEMBL13167874 0.80 GAA (0.60) GAAALPLMAPTHTTRAB9A
SCHEMBL3590080 0.80 GAA (0.60) GAAALPLMAPTHTTRAB9A
SCHEMBL646099 0.79 GAA (1.00) GAAALPLMAPTHTTRAB9A
Hydrochloric Acid SCHEMBL1314014 0.78 GAA (0.97) GAAALPLMAPTHTTRAB9A
SCHEMBL23035663 0.77 ALPL (0.76) GAAALPLMAPTHTTRAB9A
SCHEMBL855912 0.77 ALPL (0.76) GAAALPLMAPTRAB9APOLB
SCHEMBL644698 0.76 GAA (0.72) GAAALPLMAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
EP-2125778-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 GAA 1362/4885ALPL 3054/4885MAPT 2375/4885

“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.