SCHEMBL26437620

SCHEMBL26437620

CCCCC(C)(C)Cc1cnc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.58
HRH4 Q9H3N8 8/20 0.47
FDPS P14324 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL23983601 0.80 HRH3 (0.54) HRH3HRH4
SCHEMBL25000799 0.79 HRH3 (0.53) HRH3HRH4FDPS
SCHEMBL502104 0.75 PKM (0.52) HRH3HRH4FDPSPKM
SCHEMBL20906875 0.74 HRH3 (0.59) HRH3HRH4FDPS
SCHEMBL1031431 0.74
SCHEMBL1723732 0.72 HRH3 (0.88) HRH3HRH4
SCHEMBL25460713 0.72 FDPS (0.49) HRH3HRH4FDPSPKM
SCHEMBL25039174 0.71 TAAR1 (0.46) HRH3HRH4
SCHEMBL26586059 0.71 HRH3 (0.55) HRH3HRH4
SCHEMBL26579852 0.71 HRH3 (0.55) HRH3HRH4

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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 HRH3 257/4885HRH4 172/4885FDPS 4758/4885

“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.