SCHEMBL939933

SCHEMBL939933

CCc1nc2c(cnn2C)c(=O)n1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 0.64
ALDH1A3 P47895 15/20 0.64
ALDH1A2 O94788 14/20 0.61
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL19747395 0.88 ALDH1A1 (0.62) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL21271734 0.88 ALDH1A1 (0.62) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL19747379 0.84 ALDH1A1 (0.58) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL21291492 0.82 ALDH1A1 (0.55) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL19746635 0.81 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL15865180 0.79 ALDH1A1 (0.60) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL15865177 0.79 ALDH1A1 (0.60) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL19745999 0.78 ALDH1A1 (1.00) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL21271707 0.77 ALDH1A1 (0.56) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL8242227 0.77 NPC1 (0.70) ALDH1A1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 WO 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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA PIK3CD, PI4KB, PI4KA ALDH1A1 4614/4885ALDH1A3 4557/4885ALDH1A2 4527/4885

“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.