SCHEMBL30948267

SCHEMBL30948267

O=C1C(=O)N(C2CCC2)CCN1Cc1nnc(-c2ccccn2)s1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.63
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.36
P2RX7 Q99572 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.35
GRM5 P41594 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27163306 0.85 IL4I1 (0.77) IL4I1HRH3RXFP1TP53POLB
SCHEMBL30948099 0.84 IL4I1 (0.49) IL4I1HRH3RXFP1TP53P2RX7
SCHEMBL30948332 0.83 IL4I1 (0.71) IL4I1HRH3KDM4ENPC1RAB9A
SCHEMBL27163079 0.83 IL4I1 (0.74) IL4I1HRH3RXFP1TP53HSD11B1
SCHEMBL30948331 0.81 IL4I1 (0.68) IL4I1HRH3KDM4ENPC1RAB9A
SCHEMBL30948085 0.79 IL4I1 (0.78) IL4I1HRH3RXFP1TP53
SCHEMBL30948313 0.79 IL4I1 (0.57) IL4I1RXFP1TP53
SCHEMBL30948276 0.78 IL4I1 (1.00) IL4I1HRH3KDM4ENPC1RAB9A
SCHEMBL27163527 0.77 IL4I1 (0.55) IL4I1RXFP1TP53HSD11B1GRM5
SCHEMBL30948159 0.77 IL4I1 (0.74) IL4I1HRH3RXFP1TP53

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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 IL4I1 1/4885HRH3 613/4885KDM4E 1134/4885

“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.