SCHEMBL9604096

SCHEMBL9604096

CC(C)Sc1nccc2c1ncn2C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
EGLN1 Q9GZT9 1/20 0.40
DPP4 P27487 1/20 0.33
CBLB Q13191 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10746127 0.81 TSHR (0.50) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL19759415 0.74 KDM4E (0.50) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL754946 0.71 ADORA1 (0.51) ALDH1A1TSHRPPARGNCOA2NCOA1
SCHEMBL15730603 0.71 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL10297563 0.70 ADORA1 (0.39) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL17873913 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL30461799 0.69 KDM4E (0.53) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL666503 0.69 KDM4E (0.53) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL6877790 0.69 KDM4E (0.53) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL10747290 0.69 CYP1A2 (0.47) ALDH1A1KDM4EGLAGAATSHR

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-8653077-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-02-18 US disclosed
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-05-31 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-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885KDM4E 2571/4885GLA 2028/4885

“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.