SCHEMBL21678301

SCHEMBL21678301

Nc1ccc(-c2cc3c(N4CCN(CC5CC5)CC4)ccnn3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
RET P07949 2/20 0.37
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL21678296 0.83 NISCH (0.39) DRD2DRD3
SCHEMBL25155050 0.80 CHRNB2 (0.40)
SCHEMBL21679943 0.79 KIT (0.40) KITRET
SCHEMBL21679936 0.79 RET (0.33) KITDRD2DRD3RET
SCHEMBL19462890 0.79 RET (0.45) KITRET
SCHEMBL19458940 0.78 ALDH1A1 (0.44) KITRET
SCHEMBL25796604 0.77 RET (0.37) DRD2DRD3RETCYP17A1CYP21A2
SCHEMBL25155087 0.76 HTR4 (0.36) KIT
SCHEMBL19458941 0.76 KIT (0.37) KITRET
SCHEMBL20820713 0.76 RET (0.37) KITDRD2DRD3RET

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-10669277-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2020-06-02 US disclosed
US-20200031830-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2020-01-30 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-10669277-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVR2A, ACVRL1 KIT 189/4885DRD2 4568/4885DRD3 4756/4885
US-20200031830-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 KIT 189/4885DRD2 4568/4885DRD3 4756/4885

“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.