SCHEMBL21553416

SCHEMBL21553416

FC(F)Cn1cc(-c2ccnc(Nc3ccc(N4CCNCC4)nc3)n2)c(-c2cccnc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 20/20 1.00

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
SCHEMBL21526425 0.92 ACVR1 (0.85) ACVR1
SCHEMBL21526370 0.91 ACVR1 (1.00) ACVR1
SCHEMBL21526365 0.90 ACVR1 (1.00) ACVR1
SCHEMBL21526535 0.89 ACVR1 (0.80) ACVR1
SCHEMBL29356884 0.84 ACVR1 (0.72) ACVR1
SCHEMBL21526538 0.84 ACVR1 (0.72) ACVR1
SCHEMBL29618395 0.81 ACVR1 (0.70) ACVR1
SCHEMBL21526559 0.81 ACVR1 (0.79) ACVR1
SCHEMBL21526364 0.80 ACVR1 (1.00) ACVR1
SCHEMBL21526409 0.79 ACVR1 (0.81) 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.

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