SCHEMBL6419765

SCHEMBL6419765

CC(Cc1cccc(CN)c1)c1cnc(N(C)c2nc(-c3ccccc3)cc3ncnn23)nc1N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.32
ENPP1 P22413 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6415729 0.90 PIK3CD (0.32) PIK3CDENPP1
SCHEMBL6413611 0.87 ENPP1 (0.31) PIK3CDENPP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6418941 0.82 ENPP1 (0.34) ENPP1
SCHEMBL6417723 0.77 CFD (0.34) ENPP1KDM4E
SCHEMBL6414196 0.77 ENPP1 (0.30) PIK3CDENPP1
SCHEMBL6418942 0.75 ENPP1 (0.33) PIK3CDENPP1
SCHEMBL6415728 0.73 KDM4E (0.33) PIK3CDENPP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5310133 0.69 EPHB4 (0.38)
SCHEMBL6417552 0.67 ALDH1A1 (0.35) PIK3CDKDM4EALDH1A1SMN1; SMN2
SCHEMBL5913933 0.67 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2

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-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 US claimed

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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT PIK3CD 2182/4885ENPP1 1881/4885KDM4E 3908/4885

“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.