SCHEMBL21679774

SCHEMBL21679774

CCOCN1CCN(c2ccnn3cc(-c4ccc(N5CCNCC5)cc4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KHK P50053 4/20 0.43
BMP4 P12644 2/20 0.41
RET P07949 2/20 0.39
ACVR1 Q04771 7/20 0.39
TGFBR1 P36897 6/20 0.39
KDR P35968 4/20 0.39
PRKAB1 Q9Y478 4/20 0.39
MAP4K4 O95819 2/20 0.38
KIT P10721 2/20 0.38
BMPR1B O00238 5/20 0.37
BMPR1A P36894 5/20 0.37
ACVR1B P36896 5/20 0.37
ACVRL1 P37023 5/20 0.37
TGFBR2 P37173 3/20 0.37
BMPR2 Q13873 3/20 0.37
RIPK2 O43353 1/20 0.36
ACVR2A P27037 1/20 0.36
ACVR2B Q13705 1/20 0.36

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
SCHEMBL19481700 0.84 MAPT (0.47) KHKRETACVR1
SCHEMBL19486469 0.82 BMP4 (0.46) KHKBMP4RETACVR1TGFBR1
SCHEMBL21678304 0.81
SCHEMBL25766070 0.81 BMP4 (0.40) KHKBMP4RETACVR1TGFBR1
SCHEMBL19481694 0.80 KHK (0.41) KHKBMP4RETACVR1TGFBR1
SCHEMBL21679947 0.80 KIT (0.33) RETKIT
SCHEMBL21679530 0.80 KIT (0.33) RETKIT
SCHEMBL19486329 0.78 CHRNA7 (0.44) KHKMAP4K4KIT
SCHEMBL19462890 0.76 RET (0.45) KHKBMP4RETACVR1TGFBR1
SCHEMBL19458948 0.76 TDP1 (0.45) KHKBMP4RETACVR1TGFBR1

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 KHK 2037/4885BMP4 21/4885RET 50/4885
US-20200031830-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 KHK 2037/4885BMP4 21/4885RET 50/4885

“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.