SCHEMBL30948290

SCHEMBL30948290

O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2cn[nH]c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 4/20 0.48
BMPR1A P36894 3/20 0.43
ACVRL1 P37023 3/20 0.43
ACVR1 Q04771 3/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
ROCK2 O75116 12/20 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
SCHEMBL30948100 0.84 IL4I1 (0.48) IL4I1ALDH1A1MAPK1ROCK2
SCHEMBL30948089 0.83 IL4I1 (0.57) IL4I1BMPR1AACVRL1ACVR1
SCHEMBL30948025 0.80 IL4I1 (0.46) IL4I1BMPR1AACVRL1ACVR1ALDH1A1
SCHEMBL30948110 0.79 TP53 (0.47) IL4I1ROCK2
SCHEMBL30947950 0.79 IL4I1 (0.66) IL4I1ROCK2
SCHEMBL30948084 0.77 IL4I1 (0.63) IL4I1ROCK2
SCHEMBL30948170 0.77 GRM2 (0.49) IL4I1
SCHEMBL30948117 0.75 IL4I1 (0.48) IL4I1BMPR1AACVRL1ACVR1
SCHEMBL30948370 0.69 IL4I1 (0.57) IL4I1BMPR1AACVRL1ACVR1
SCHEMBL19155090 0.69 ROCK2 (0.44) ACVR1ROCK2

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 1/4885BMPR1A 538/4885ACVRL1 1458/4885

“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.