SCHEMBL21080705

SCHEMBL21080705

O=C(O)NC1CCC(c2nncs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 3/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CHRM4 P08173 2/20 0.32
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL21080706 1.00 SMN1; SMN2 (0.39) SMN1; SMN2HPGDALDH1A1TSHRPOLB
SCHEMBL21737987 0.86 SMN1; SMN2 (0.38) SMN1; SMN2HPGDALDH1A1TSHRPOLB
SCHEMBL21797341 0.86 SMN1; SMN2 (0.38) SMN1; SMN2HPGDALDH1A1TSHRPOLB
SCHEMBL21738137 0.86 SMN1; SMN2 (0.38) SMN1; SMN2HPGDALDH1A1TSHRPOLB
SCHEMBL21737988 0.85 SMYD3 (0.41) SMN1; SMN2HPGDALDH1A1POLBTDP1
SCHEMBL21737880 0.85 SMYD3 (0.41) SMN1; SMN2HPGDALDH1A1POLBTDP1
SCHEMBL21737888 0.84 LIPG (0.37) SMN1; SMN2HPGDALDH1A1TSHRPOLB
SCHEMBL21737983 0.84 LIPG (0.37) SMN1; SMN2HPGDALDH1A1TSHRPOLB
SCHEMBL21737881 0.84 SMN1; SMN2 (0.41) SMN1; SMN2HPGDALDH1A1TSHRPOLB
SCHEMBL21737911 0.81 SMN1; SMN2 (0.35) SMN1; SMN2HPGDPOLBCTDSP1TDP1

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
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP 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-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-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-02-13 US disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 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-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS SMN1; SMN2 653/4885HPGD 32/4885ALDH1A1 444/4885
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 SMN1; SMN2 1626/4885HPGD 306/4885ALDH1A1 417/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 SMN1; SMN2 1175/4885HPGD 3081/4885ALDH1A1 2000/4885
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS SMN1; SMN2 653/4885HPGD 32/4885ALDH1A1 444/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 SMN1; SMN2 1294/4885HPGD 2814/4885ALDH1A1 1763/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SMN1; SMN2 1294/4885HPGD 2814/4885ALDH1A1 1763/4885

“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.