SCHEMBL21553399

SCHEMBL21553399

CCn1cc(-c2ccnc(Nc3ccc(S(=O)(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)c(-c2cccnc2)n1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 20/20 0.76

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
SCHEMBL21553402 0.87 ACVR1 (0.70) ACVR1
SCHEMBL29357143 0.87 ACVR1 (0.70) ACVR1
SCHEMBL21526551 0.86 ACVR1 (1.00) ACVR1
SCHEMBL21526515 0.85 ACVR1 (0.81) ACVR1
SCHEMBL21553423 0.84 ACVR1 (0.74) ACVR1
SCHEMBL21526628 0.84 ACVR1 (0.74) ACVR1
SCHEMBL21526573 0.83 ACVR1 (0.74) ACVR1
SCHEMBL21526403 0.82 ACVR1 (0.75) ACVR1
SCHEMBL21526617 0.82 ACVR1 (0.73) ACVR1
SCHEMBL21553394 0.81 ACVR1 (0.71) ACVR1

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-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 ACVR1 9/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 ACVR1 9/4885

“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.