SCHEMBL6415729

SCHEMBL6415729

C[C@@H](N)c1cccc(C[C@H](C)c2cnc(N(C)c3nc(-c4ccccc4)cc4ncnn34)nc2N)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.32
RIPK1 Q13546 2/20 0.31
ENPP1 P22413 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
SCHEMBL6419765 0.90 PIK3CD (0.32) PIK3CDENPP1
SCHEMBL6415993 0.87 ENPP1 (0.30) PIK3CDENPP1
SCHEMBL6414196 0.87 ENPP1 (0.30) PIK3CDENPP1
SCHEMBL6413611 0.77 ENPP1 (0.31) PIK3CDENPP1
SCHEMBL6415728 0.74 KDM4E (0.33) PIK3CDENPP1
SCHEMBL6418941 0.73 ENPP1 (0.34) ENPP1
SCHEMBL6417723 0.68 CFD (0.34) ENPP1
SCHEMBL6417552 0.66 ALDH1A1 (0.35) PIK3CD
SCHEMBL6418942 0.66 ENPP1 (0.33) PIK3CDENPP1
SCHEMBL5913952 0.65 SMN1; SMN2 (0.33)

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 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT PIK3CD 2182/4885RIPK1 35/4885ENPP1 1881/4885

“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.