SCHEMBL21797227

SCHEMBL21797227

CC(=O)N[C@@]1(C)[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
FUCA1 P04066 2/20 0.44
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CYP2D6 P10635 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BCHE P06276 1/20 0.42
GAA P10253 1/20 0.42
SCN4A P35499 1/20 0.42

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
SCHEMBL21737963 1.00 KMT2A (0.50) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL12078991 1.00 KMT2A (0.50) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL12078989 1.00 KMT2A (0.50) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL23583191 0.95 KDM4E (0.46) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL21737899 0.78 FUCA1 (0.53) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL2302054 0.78 FUCA1 (0.53) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL21797362 0.78 FUCA1 (0.53) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL24767528 0.78 FUCA1 (0.53) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL21797360 0.78 FUCA1 (0.53) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL9177398 0.77 CYP2D6 (0.42) KMT2AKDM4EMEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060351-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2024-08-13 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-03-31 US disclosed
US-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS GILEAD SCIENCES, INC. 2020-03-12 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 (6 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-11046686-B2 Thiadiazole IRAK4 compounds IRAK4, IRAK3, IRAK2 KMT2A 683/4885KDM4E 413/4885MEN1 2537/4885
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 KMT2A 551/4885KDM4E 331/4885MEN1 2601/4885
US-12060351-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 KMT2A 551/4885KDM4E 331/4885MEN1 2601/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 KMT2A 683/4885KDM4E 413/4885MEN1 2537/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 KMT2A 551/4885KDM4E 331/4885MEN1 2601/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 KMT2A 551/4885KDM4E 331/4885MEN1 2601/4885

“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.