SCHEMBL21389693

SCHEMBL21389693

CC(C)[C@H](C)Nc1nc(N)ncc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ P2RX3 P56373 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ CHUK O15111 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL21389719 1.00 PIK3CD (0.43) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL15354452 0.87 LRRK2 (0.47) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL20725866 0.86 PIK3CD (0.43) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL179509 0.85 PLK1 (0.42) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL179452 0.85 PLK1 (0.42) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL179462 0.85 PLK1 (0.42) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL21389720 0.82 PIK3CD (0.40) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL250961 0.82 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL251804 0.82 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL217591 0.82 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1LRRK2

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-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 — — 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-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3R1 11/4885ADORA2A 1048/4885

“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.

Send feedback