SCHEMBL4539404

SCHEMBL4539404

Cc1nc(N)nc(N)c1-c1cccc(-c2ccc(N(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.44
HEXB P07686 1/20 0.44
DHFR P00374 3/20 0.43
PNPLA2 Q96AD5 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AOC3 Q16853 1/20 0.40
ADK P55263 1/20 0.39

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
SCHEMBL1882625 0.77 MAP4K4 (0.57) HEXAHEXBDHFR
SCHEMBL12368259 0.77 HEXA (0.68) HEXAHEXBDHFR
SCHEMBL4530128 0.75 IKBKB (0.55) HEXAHEXBDHFR
SCHEMBL19698856 0.74 PNPLA2 (0.56) PNPLA2HDAC6AOC3
Hydrochloric Acid SCHEMBL4532657 0.74 HEXA (0.48) HEXAHEXBDHFR
SCHEMBL3500167 0.73 DHFR (0.61) HEXAHEXBDHFR
SCHEMBL6049535 0.73 IKBKB (0.56) HEXAHEXBDHFR
SCHEMBL14065149 0.71 PNPLA2 (0.53) PNPLA2HDAC6AOC3
SCHEMBL12368257 0.70 HEXA (0.64) HEXAHEXBDHFR
SCHEMBL1885367 0.70 HEXA (0.50) HEXAHEXBDHFR

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-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B HEXA 748/4885HEXB 352/4885DHFR 1058/4885

“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.