SCHEMBL21173405

SCHEMBL21173405

CCCc1cnc(N2CCN(C(C)C)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
OGA O60502 3/20 0.46
ACACB O00763 4/20 0.42
ALDH1A1 P00352 2/20 0.41
ACHE P22303 2/20 0.41
DHFR P00374 1/20 0.40
PTPN11 Q06124 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
AOC3 Q16853 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
SCHEMBL20443215 0.87 OGA (0.58) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL9946220 0.81 KDM4E (0.64) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL19983435 0.80 KDM4E (0.63) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL2455500 0.78 KDM4E (0.60) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL890101 0.78 OGA (0.55) KDM4EOGAALDH1A1ACHEDHFR
SCHEMBL19450847 0.77 KDM4E (0.52) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL19434393 0.77 KDM4E (0.52) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL19434339 0.77 KDM4E (0.52) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL17471338 0.77 KDM4E (0.59) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL1126338 0.76 OGA (0.53) KDM4EOGAALDH1A1ACHEPTPN11

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-20190218214-A1 Inhibition of BMP Signaling Compounds, Compositions and Uses Thereof VANDERBILT UNIVERSITY 2019-07-18 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-20190218214-A1 Inhibition of BMP Signaling Compounds, Compositions and Uses Thereof BMP1, BMP4, BMP2 KDM4E 802/4885NPC1 2775/4885RAB9A 1231/4885

“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.