SCHEMBL4897572

SCHEMBL4897572

Cn1cncc1CN(CCNCc1ccccn1)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.49
FNTB P49356 13/20 0.49
PGGT1B P53609 12/20 0.49
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL4900048 0.87 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL4901285 0.85 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL4901913 0.80 FNTA (0.49) FNTAFNTBPGGT1BKMT2AL3MBTL1
SCHEMBL4897001 0.73 FNTA (0.48) FNTAFNTBPGGT1BCHRM2
SCHEMBL4897156 0.73 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL4899984 0.71 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL4894032 0.71 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL4899929 0.71 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL4893638 0.71 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL4893197 0.70 FNTA (0.45) FNTAFNTBPGGT1B

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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria UNIVERSITY OF WASHINGTON (US) 2008-12-18 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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria AKR1C3, NR1H3, HCCS FNTA 18/4885FNTB 38/4885PGGT1B 912/4885

“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.