SCHEMBL20009042

SCHEMBL20009042

CC(C)N1CC2CCC(C1)N2C(=O)c1cncs1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TYRO3 Q06418 1/20 0.39
HSP90AA1 P07900 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM5 P41594 2/20 0.35
GAA P10253 1/20 0.34
ACACB O00763 5/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 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
SCHEMBL18081280 0.85 PIK3CD (0.47) PIK3CDKCNK3KCNK9TYRO3HSP90AA1
SCHEMBL18081198 0.77 PIK3CD (0.42) PIK3CDKCNK3KCNK9HSP90AA1ALDH1A1
SCHEMBL19013692 0.77 NPSR1 (0.49) ALDH1A1MAPTNPSR1GAAKMT2A
SCHEMBL19013730 0.76 JAK2 (0.36) HRH3JAK2JAK1NPSR1ACACB
SCHEMBL20008973 0.74 PIK3CD (0.54) PIK3CDHRH3HSP90AA1ALDH1A1MAPT
SCHEMBL25911218 0.72
SCHEMBL20009014 0.71 PIK3CD (0.51) PIK3CDHRH3TYRO3HSP90AA1ALDH1A1
SCHEMBL23959527 0.70 PIK3CD (0.47) PIK3CDHRH3TYRO3HSP90AA1ALDH1A1
SCHEMBL19013710 0.70 PIK3CD (0.44) PIK3CDHRH3ALDH1A1POLBKMT2A
SCHEMBL19013726 0.69 HTR1A (0.45) ALDH1A1MAPTPKMJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (3 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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 PIK3CD 208/4885KCNK3 3674/4885KCNK9 4385/4885
US-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 PIK3CD 3161/4885KCNK3 2779/4885KCNK9 3358/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 PIK3CD 3161/4885KCNK3 2779/4885KCNK9 3358/4885

“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.