SCHEMBL21783728

SCHEMBL21783728

CC(C)c1cnc2c(ccn2CC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRM2 Q14416 3/20 0.36
KDM1A O60341 2/20 0.36
JAK1 P23458 3/20 0.35
JAK2 O60674 2/20 0.35
TYK2 P29597 2/20 0.35
NR3C1 P04150 1/20 0.35
MAPT P10636 1/20 0.34
ACACB O00763 2/20 0.34
HTR7 P34969 1/20 0.33
JAK3 P52333 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL15339573 0.81 GRIN2B (0.41) MAP3K5GRIN2BGRM2KDM1AJAK1
SCHEMBL21285478 0.81 SRC (0.36) GRIN2BMAPTHTR7
SCHEMBL21783750 0.79 MAP3K5 (0.39) MAP3K5GRIN2BGRM2KDM1AJAK1
SCHEMBL21783643 0.78 GRM2 (0.40) MAP3K5GRIN2BGRM2KDM1AJAK1
SCHEMBL7859822 0.78 HTR7 (0.42) MAP3K5GRIN2BGRM2KDM1AJAK1
SCHEMBL21783749 0.78 JAK1 (0.39) MAP3K5GRIN2BGRM2JAK1JAK2
SCHEMBL24729940 0.76 GRIN2B (0.43) MAP3K5GRIN2BGRM2KDM1AJAK1
SCHEMBL23938080 0.73 GRIN2B (0.43) MAP3K5GRIN2BGRM2KDM1AJAK1
SCHEMBL20731030 0.73 CYP1A2 (0.38) GRIN2BGRM2KDM1AJAK1JAK2
SCHEMBL30794117 0.73 ALDH1A1 (0.41) MAP3K5GRM2JAK1JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
WO-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO 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 (2 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV MAP3K5 3184/4885GRIN2B 1332/4885GRM2 2141/4885
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 MAP3K5 2691/4885GRIN2B 1480/4885GRM2 2503/4885

“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.