SCHEMBL3078397

SCHEMBL3078397

CCc1cn(CCCCBr)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.57
ICMT O60725 1/20 0.56
CNR2 P34972 11/20 0.49
CNR1 P21554 3/20 0.46
HDAC3 O15379 1/20 0.45
DNM2 P50570 1/20 0.44

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
SCHEMBL13131369 0.87 CDC25A (0.72) CDC25AICMTCNR2CNR1DNM2
SCHEMBL23269921 0.85 CDC25A (0.65) CDC25AICMTCNR2CNR1DNM2
SCHEMBL12052564 0.84 CDC25A (0.60) CDC25AICMTCNR2CNR1HDAC3
SCHEMBL16259057 0.83 ICMT (0.61) CDC25AICMTCNR2HDAC3DNM2
SCHEMBL10181834 0.83 CDC25A (0.58) CDC25AICMTCNR2CNR1
SCHEMBL13131360 0.82 CDC25A (0.54) CDC25AICMTCNR2CNR1
SCHEMBL10650270 0.82 CNR2 (0.58) CDC25AICMTCNR2CNR1
SCHEMBL3070123 0.81 MEN1 (0.51) CDC25AICMTCNR2CNR1
SCHEMBL13131371 0.80 CDC25A (0.56) CDC25AICMTCNR2CNR1HDAC3
SCHEMBL88821 0.80 CNR2 (0.57) CDC25AICMTCNR2CNR1

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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 CDC25A 3179/4885ICMT 1532/4885CNR2 1456/4885

“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.