SCHEMBL21389720

SCHEMBL21389720

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ EGFR P00533 2/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ CHUK O15111 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 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
SCHEMBL251804 0.86 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL250961 0.86 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL217591 0.86 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL218369 0.84 ADORA2A (0.41) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL21389719 0.82 PIK3CD (0.43) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL21389693 0.82 PIK3CD (0.43) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL179466 0.82 PIK3CD (0.38) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL179430 0.82 PIK3CD (0.38) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL179438 0.82 PIK3CD (0.38) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1
SCHEMBL15354452 0.82 LRRK2 (0.47) PIK3CDPIK3R1ADORA2AADORA1ALDH1A1

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.

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