SCHEMBL21737880

SCHEMBL21737880

O=C(N[C@H]1CC[C@@H](c2nncs2)CC1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.41
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
TYK2 P29597 5/20 0.40
JAK3 P52333 4/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
PDE7A Q13946 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM5A P29375 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL21737988 1.00 SMYD3 (0.41) SMYD3JAK2JAK1TYK2JAK3
SCHEMBL21080705 0.85 SMN1; SMN2 (0.39) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL21080706 0.85 SMN1; SMN2 (0.39) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL21797341 0.84 SMN1; SMN2 (0.38) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL21738137 0.84 SMN1; SMN2 (0.38) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL21737987 0.84 SMN1; SMN2 (0.38) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL21737983 0.81 LIPG (0.37) JAK2JAK1TYK2JAK3POLB
SCHEMBL21737888 0.81 LIPG (0.37) JAK2JAK1TYK2JAK3POLB
SCHEMBL21737881 0.81 SMN1; SMN2 (0.41) SMYD3POLBRAB9AHPGDSMN1; SMN2
SCHEMBL21797483 0.79 SMN1; SMN2 (0.35) POLBHPGDSMN1; SMN2TDP1

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-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 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-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
WO-2020036986-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 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 (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-11046686-B2 Thiadiazole IRAK4 compounds IRAK4, IRAK3, IRAK2 SMYD3 2810/4885JAK2 15/4885JAK1 12/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 SMYD3 2853/4885JAK2 16/4885JAK1 12/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SMYD3 2853/4885JAK2 16/4885JAK1 12/4885

“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.