SCHEMBL21678296

SCHEMBL21678296

c1cc(N2CCN(CC3CC3)CC2)c2cc(-c3ccc(C4=NCCN4)cc3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 4/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
DRD4 P21917 2/20 0.39
TOP2A P11388 2/20 0.35
TOP2B Q02880 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL19491157 0.83 NISCH (0.44) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL21678301 0.83 KIT (0.38) DRD2DRD3
SCHEMBL19458992 0.81 ALDH1A1 (0.40) NISCHALDH1A1
SCHEMBL21679936 0.78 RET (0.33) DRD2DRD3
SCHEMBL25155050 0.77 CHRNB2 (0.40) HRH3
SCHEMBL25795817 0.75
SCHEMBL25805816 0.72 RET (0.34)
SCHEMBL25796604 0.72 RET (0.37) DRD2DRD3DRD4
SCHEMBL25155087 0.72 HTR4 (0.36)
SCHEMBL25766070 0.71 BMP4 (0.40) DRD2DRD4

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 NISCH 4030/4885DRD2 4568/4885DRD3 4756/4885
US-20200031830-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 NISCH 4030/4885DRD2 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.