SCHEMBL19203822

SCHEMBL19203822

CC(C)(C)Cc1cc2ncccn2n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
PIK3CG P48736 1/20 0.31
KCNQ3 O43525 3/20 0.31
KCNQ2 O43526 3/20 0.31
PDE10A Q9Y233 1/20 0.31
MGLL Q99685 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL21515669 0.81 APOBEC3A (0.49) APOBEC3AAPOBEC3GPIK3CGPDE10AHTR2A
SCHEMBL23806233 0.77 APOBEC3A (0.45) APOBEC3AAPOBEC3GPIK3CGPDE10AMGLL
SCHEMBL7481484 0.77 APOBEC3A (0.45) APOBEC3AAPOBEC3GPIK3CGPDE10AMGLL
SCHEMBL15935247 0.75 APOBEC3A (0.54) APOBEC3AAPOBEC3GGRNSORT1PIK3CG
SCHEMBL9968614 0.75 DYRK1A (0.44) GRNSORT1
SCHEMBL5872612 0.74 APOBEC3A (0.43) APOBEC3AAPOBEC3G
SCHEMBL24656101 0.71 NR3C1 (0.47) GRNSORT1PDE10A
SCHEMBL21863369 0.71 APOBEC3A (0.53) APOBEC3AAPOBEC3GPIK3CGPDE10AHTR2A
SCHEMBL4789376 0.71 APOBEC3A (0.53) APOBEC3AAPOBEC3GPIK3CGPDE10AHTR2A
SCHEMBL2181213 0.71 APOBEC3A (0.53) APOBEC3AAPOBEC3GPIK3CGPDE10A

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-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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 (2 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 APOBEC3A 4858/4885APOBEC3G 4866/4885GRN 2313/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 APOBEC3A 4858/4885APOBEC3G 4866/4885GRN 2313/4885

“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.