SCHEMBL2369583

SCHEMBL2369583

Nc1ncc2c(ccn2Cc2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.49
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
HTR6 P50406 3/20 0.43
MAPK14 Q16539 1/20 0.41
EGLN1 Q9GZT9 2/20 0.41
MPO P05164 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
ADORA2A P29274 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
KMT2A Q03164 1/20 0.39
TNF P01375 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ERBB2 P04626 1/20 0.38

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
SCHEMBL408644 0.75 KLKB1 (0.63) SLC2A1KLKB1KLK1HTR6MPO
SCHEMBL12295346 0.72 SLC2A1 (0.42) SLC2A1KLKB1KLK1HTR6ADORA2A
SCHEMBL6643322 0.72 HTR6 (0.49) SLC2A1KLKB1KLK1KDM4CHTR6
SCHEMBL18152642 0.71 HTR6 (0.48) SLC2A1KLKB1KLK1HTR6MPO
SCHEMBL27764237 0.69 EGLN1 (0.46) SLC2A1KDM4CHTR6EGLN1
SCHEMBL4937586 0.69 HTR6 (0.60) SLC2A1HTR6KMT2A
SCHEMBL4056966 0.69 HTR6 (0.60) SLC2A1KLKB1KLK1HTR6MPO
SCHEMBL29880153 0.69 HTR6 (0.60) SLC2A1KLKB1KLK1HTR6MPO
SCHEMBL17208094 0.69 ADORA2A (0.60) SLC2A1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL25426366 0.69 EGLN1 (0.58) MAPK14EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals,. LLC 2012-12-27 US disclosed
WO-2011109593-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals, LLC (US) 2011-09-09 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-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES MET, KRAS, VHL SLC2A1 193/4885KLKB1 3482/4885KLK1 3530/4885

“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.