SCHEMBL24851999

SCHEMBL24851999

O=c1[nH]c2ccccc2cc1Cc1nnc(-c2c(F)cccc2F)o1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.56
▸ IL4I1 Q96RQ9 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ EGFR P00533 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ APLNR P35414 3/20 0.40
▸ ERBB2 P04626 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL24852008 0.86 GUSB (0.51) GUSBIL4I1KDM4ECYP1A2HSD17B10
SCHEMBL24852000 0.83 EGFR (0.55) GUSBIL4I1HSD17B10EGFRALDH1A1
SCHEMBL24851921 0.80 GUSB (0.54) GUSBIL4I1KDM4EEGFRERBB2
SCHEMBL24852002 0.80 IL4I1 (0.44) GUSBIL4I1KDM4ECYP1A2HSD17B10
SCHEMBL24851794 0.80 GUSB (0.47) GUSBIL4I1KDM4EEGFRALDH1A1
SCHEMBL24852013 0.79 GUSB (0.48) GUSBIL4I1KDM4ECYP1A2HSD17B10
SCHEMBL24852507 0.78 IL4I1 (0.51) IL4I1KDM4ECYP1A2HSD17B10EGFR
SCHEMBL24851962 0.78 IL4I1 (0.51) IL4I1KDM4ECYP1A2HSD17B10EGFR
SCHEMBL24852005 0.78 GUSB (0.47) GUSBIL4I1HSD17B10EGFRERBB2
SCHEMBL24852006 0.77 EGFR (0.52) GUSBIL4I1CYP1A2EGFRHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 — — US disclosed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 — — EP disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO 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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN GUSB 573/4885IL4I1 1/4885KDM4E 878/4885

“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.

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