SCHEMBL21680688

SCHEMBL21680688

O=C(O)NC1CCC(C(=O)NNC(=O)C(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.37
PKM P14618 1/20 0.36
GAA P10253 3/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21680691 1.00 MAPT (0.40) MAPTHTTPOLBPKMGAA
SCHEMBL29518936 0.78 BTK (0.45) GAAKMT2A
SCHEMBL21707307 0.78 BTK (0.45) GAAKMT2A
SCHEMBL21774787 0.77 MAPT (0.43) MAPTHTTPOLBGAAHPGD
SCHEMBL21733423 0.77 MAPT (0.50) MAPTHTTGAAHPGDALDH1A1
SCHEMBL23573569 0.76 POLB (0.59) POLBGAAL3MBTL1KMT2AALDH1A1
SCHEMBL3196032 0.76 POLB (0.59) POLBGAAL3MBTL1KMT2AALDH1A1
SCHEMBL3196038 0.76 POLB (0.59) POLBGAAL3MBTL1KMT2AALDH1A1
SCHEMBL23573567 0.76 POLB (0.59) POLBGAAL3MBTL1KMT2AALDH1A1
SCHEMBL12487514 0.73 HTT (0.40) MAPTHTTPOLBPKMGAA

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 7 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-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2021-07-06 US disclosed
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS GILEAD SCIENCES, INC. 2020-03-12 US disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 US disclosed
US-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-02-13 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 (7 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-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS MAPT 1906/4885HTT 925/4885POLB 217/4885
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS MAPT 1906/4885HTT 925/4885POLB 217/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 MAPT 1995/4885HTT 3729/4885POLB 2429/4885
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS MAPT 1906/4885HTT 925/4885POLB 217/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 MAPT 1693/4885HTT 3929/4885POLB 2413/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS MAPT 1906/4885HTT 925/4885POLB 217/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 MAPT 1693/4885HTT 3929/4885POLB 2413/4885

“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.