SCHEMBL23387015

SCHEMBL23387015

CCNC(Cc1cnc[nH]1)C(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.47
HRH4 Q9H3N8 6/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 2/20 0.47
NFKB1 P19838 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
THPO P40225 1/20 0.47
CYP3A4 P08684 3/20 0.47
SLC7A5 Q01650 1/20 0.47
LMNA P02545 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
ITGAL P20701 2/20 0.46
CYP2C19 P33261 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
QPCT Q16769 1/20 0.42

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
SCHEMBL18748750 0.85 CYP3A4 (0.49) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL1666697 0.85 ALDH1A1 (0.58) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL14961161 0.83 ITGB2 (0.49) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL14961160 0.83 ITGB2 (0.49) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL23513624 0.83 HTR1D (0.48) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL888751 0.81 ITGB2 (0.47) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL10122812 0.81 ITGB2 (0.47) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL17570925 0.79 ITGB2 (0.41) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL26576389 0.79 HRH4 (0.56) HRH3HRH4ALDH1A1CYP1A2NFKB1
SCHEMBL18786594 0.78 ITGB2 (0.41) HRH3HRH4ALDH1A1CYP1A2NFKB1

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-11780935-B2 Mutant antibodies and conjugation thereof PFIZER HEALTHCARE IRELAND (IE) 2023-10-10 US disclosed
US-20210147576-A1 MUTANT ANTIBODIES AND CONJUGATION THEREOF PFIZER HEALTHCARE IRELAND (IE) 2021-05-20 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 (2 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-20210147576-A1 MUTANT ANTIBODIES AND CONJUGATION THEREOF IGLV6-57, IGSF11, F13B HRH3 228/4885HRH4 153/4885ALDH1A1 3691/4885
US-11780935-B2 Mutant antibodies and conjugation thereof IGLV6-57, IGSF11, F13B HRH3 221/4885HRH4 150/4885ALDH1A1 3744/4885

“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.