SCHEMBL19482443

SCHEMBL19482443

c1cc(N2CCNCC2)c2cc(-c3ccc(C4CCCCC4)cc3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.41
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
ACVR1 Q04771 3/20 0.37
BMPR1B O00238 2/20 0.37
BMPR1A P36894 2/20 0.37
ACVR1B P36896 2/20 0.37
ACVRL1 P37023 2/20 0.37
BMP4 P12644 1/20 0.36
DGAT1 O75907 1/20 0.35
NOTUM Q6P988 2/20 0.35
KIT P10721 1/20 0.35
KHK P50053 2/20 0.34
ADRB2 P07550 1/20 0.34
NCF1 P14598 1/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL19458993 0.86 TLR9 (0.40) RETACVR1BMPR1BBMPR1AACVR1B
SCHEMBL19459153 0.86 RET (0.40) RETHRH3ACVR1BMPR1BBMPR1A
Hydrochloric Acid SCHEMBL19459124 0.86 TLR9 (0.40) RETKCNH2ACVR1BMPR1BBMPR1A
SCHEMBL19459216 0.83 RET (0.39) RETACVR1BMPR1BBMPR1AACVR1B
SCHEMBL25777871 0.83 RET (0.38) RETACVR1BMPR1BBMPR1AACVR1B
SCHEMBL19459081 0.83 RET (0.41) RETACVR1BMP4KITKHK
SCHEMBL19462890 0.81 RET (0.45) RETACVR1BMPR1BBMPR1AACVR1B
SCHEMBL19459020 0.81 RET (0.49) RETMAPT
SCHEMBL19481678 0.80 RET (0.41) RETACVR1BMPR1BBMPR1AACVR1B
Hydrochloric Acid SCHEMBL27218024 0.79 RET (0.36) RETACVR1BMPR1BBMPR1AACVR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 RET 50/4885HRH4 3457/4885HRH3 2428/4885

“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.