SCHEMBL17705709

SCHEMBL17705709

CC(C)c1nnc(C(C)C)c2[nH]ncc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
IDO1 P14902 2/20 0.32
HTT P42858 1/20 0.32
PTK2 Q05397 1/20 0.32
KRAS P01116 2/20 0.32
NOS1 P29475 3/20 0.31
AXL P30530 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL18558988 0.79
SCHEMBL18238082 0.76 METAP2 (0.37) METAP2IDO1NOS1AXL
SCHEMBL17705710 0.67 ADORA3 (0.31)
SCHEMBL16276755 0.67 HTT (0.40) METAP2IDO1HTTPTK2NOS1
SCHEMBL16339751 0.67 IDO1 (0.41) METAP2IDO1NOS1AXL
SCHEMBL12258192 0.67 HSP90AA1 (0.41) METAP2IDO1HTTPTK2NOS1
SCHEMBL17705707 0.66 GPR84 (0.33)
SCHEMBL24981147 0.64 HTT (0.38) METAP2IDO1HTTPTK2ALDH1A1
SCHEMBL2611044 0.64 RET (0.55) ALDH1A1
SCHEMBL11605459 0.64 MAPT (0.38) METAP2IDO1HTTPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 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-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 METAP2 3733/4885IDO1 1352/4885HTT 1012/4885

“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.