SCHEMBL17313633

SCHEMBL17313633

COC(=O)c1ccc(CN2CC[C@H](N(C)C)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
HDAC1 Q13547 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CCR5 P51681 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
CHKA P35790 1/20 0.50
LTA4H P09960 1/20 0.49
CHRM4 P08173 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CXCR3 P49682 1/20 0.48

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
SCHEMBL8223438 1.00 KDM4E (0.58) KDM4EHDAC1MEN1KMT2ACCR5
SCHEMBL17313634 1.00 KDM4E (0.58) KDM4EHDAC1MEN1KMT2ACCR5
SCHEMBL4699032 0.88 KDM4E (0.56) KDM4EHDAC1LMNALTA4HCHRM4
SCHEMBL28169444 0.86 HDAC1 (0.50) KDM4EHDAC1LTA4HCHRM4
SCHEMBL4578100 0.85 HDAC1 (0.58) HDAC1LTA4HCHRM4
SCHEMBL4578108 0.85 HDAC1 (0.58) HDAC1LTA4HCHRM4
SCHEMBL15860138 0.85 HDAC1 (0.58) HDAC1LTA4HCHRM4
SCHEMBL8230948 0.84 HDAC1 (0.54) KDM4EHDAC1MEN1KMT2ALTA4H
SCHEMBL20257082 0.83 KDM4E (0.62) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL5179140 0.82 HDAC1 (0.60) HDAC1LTA4HCHRM4

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-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 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-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 KDM4E 659/4885HDAC1 471/4885MEN1 1615/4885

“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.