SCHEMBL21929908

SCHEMBL21929908

CC(C)c1cc2[nH]c(=O)ccn2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE3A Q14432 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE5A O76074 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PKM P14618 1/20 0.31
GSK3B P49841 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DDB1 Q16531 1/20 0.30
HCAR1 Q9BXC0 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
SCHEMBL7717839 0.79 NPC1 (0.50) CRBNNPC1RAB9AALDH1A1GAA
SCHEMBL31001777 0.75 CRBN (0.34) CRBNNPC1RAB9ADDB1HCAR1
SCHEMBL24184143 0.75 CRBN (0.35) CRBNNPC1RAB9APDE3APDE4B
SCHEMBL31001871 0.71 PLAT (0.50) CRBNNPC1RAB9APDE3APDE4B
SCHEMBL3785293 0.71 PLAT (0.47) NPC1RAB9AHCAR1
SCHEMBL7717363 0.71 PARP1 (0.49) CRBNNPC1RAB9AALDH1A1GAA
SCHEMBL7719444 0.71 PLAT (0.47) CRBNNPC1RAB9AALDH1A1DDB1
SCHEMBL7717845 0.71 CYP1A2 (0.34) CRBNNPC1RAB9AALDH1A1GAA
SCHEMBL3345969 0.70 PLAT (0.52) NPC1RAB9APDE5AALDH1A1GAA
SCHEMBL25093206 0.69 KDM4E (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006320-B2 Heterocyclic derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2024-06-11 US disclosed
US-20210395258-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2021-12-23 US disclosed
US-20210395258-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2021-12-23 US disclosed
US-11078204-B2 Heterocyclic derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2021-08-03 US disclosed
US-11078204-B2 Heterocyclic derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2021-08-03 US disclosed
WO-2020102198-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2020-05-22 WO disclosed
WO-2020102198-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2020-05-22 WO disclosed
US-20200148689-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2020-05-14 US disclosed
US-20200148689-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2020-05-14 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 (4 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-12006320-B2 Heterocyclic derivatives as PI3K inhibitors PIK3CD, PIK3R5, PIK3CA CRBN 941/4885NPC1 1644/4885RAB9A 334/4885
US-11078204-B2 Heterocyclic derivatives as PI3K inhibitors PIK3CD, PIK3R5, PIK3CA CRBN 941/4885NPC1 1644/4885RAB9A 334/4885
US-20210395258-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS PIK3CD, PIK3R5, PIK3CA CRBN 941/4885NPC1 1644/4885RAB9A 334/4885
US-20200148689-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS PIK3CD, PIK3R5, PIK3CA CRBN 941/4885NPC1 1644/4885RAB9A 334/4885

“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.