SCHEMBL19459017

SCHEMBL19459017

O=CC1(N2CCN(c3ccnn4cc(-c5cn[nH]c5)cc34)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.39
LRRK2 Q5S007 3/20 0.34
RET P07949 3/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
CDC42BPB Q9Y5S2 2/20 0.33
CDC42BPA Q5VT25 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
BMPR1B O00238 2/20 0.32
KDR P35968 2/20 0.32
BMPR1A P36894 2/20 0.32
ACVR1B P36896 2/20 0.32
TGFBR1 P36897 2/20 0.32
ACVRL1 P37023 2/20 0.32
TGFBR2 P37173 2/20 0.32
ACVR1 Q04771 2/20 0.32
BMPR2 Q13873 2/20 0.32

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
SCHEMBL19458941 0.83 KIT (0.37) KITRET
SCHEMBL19459016 0.78 ALDH1A1 (0.43) KITRETJAK1
SCHEMBL19486444 0.69 KIT (0.42) KITRETJAK2JAK1TYK2
SCHEMBL27280222 0.69 RET (0.43) KITRETROCK2JAK1
SCHEMBL19491029 0.66 KIT (0.33) KITRET
SCHEMBL25767185 0.65 CHRNA7 (0.36) KIT
SCHEMBL19486469 0.65 BMP4 (0.46) KITRETBMPR1BKDRBMPR1A
SCHEMBL27281348 0.64 JAK2 (0.38) KITRETROCK2JAK2JAK1
SCHEMBL19459013 0.63 IDE (0.43) KITRET
SCHEMBL19486329 0.63 CHRNA7 (0.44) KIT

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-10233186-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2019-03-19 US disclosed
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2017-10-19 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-10233186-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVR2A, ACVRL1 KIT 27/4885LRRK2 775/4885RET 56/4885
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 KIT 189/4885LRRK2 658/4885RET 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.