Sugi Predict

Sugi Predict / Compounds / SCHEMBL21733430

SCHEMBL21733430

SCHEMBL21733430

Cc1nc([C@H]2CC[C@H](N)CC2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.41
▸ SMYD3 Q9H7B4 2/20 0.40
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ POLB P06746 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL22629067 1.00 MAP4K4 (0.41) MAP4K4SMYD3CA1CA2CA9
SCHEMBL1421874 0.90 — —
Ammonia Solution, Strong SCHEMBL440390 0.88 MAP4K4 (0.42) MAP4K4CA1CA2CA9PDE10A
SCHEMBL13783348 0.82 MAP4K4 (0.39) MAP4K4CA1CA2CA9PDE10A
SCHEMBL13282089 0.82 POLB (0.43) MAP4K4PDE10APOLBCASP3SENP7
SCHEMBL15934131 0.82 POLB (0.47) MAP4K4PDE10APOLBCASP3SENP7
SCHEMBL19485443 0.80 CASP3 (0.50) MAP4K4POLBCASP3SENP7SENP6
SCHEMBL1516119 0.80 CASP3 (0.50) MAP4K4POLBCASP3SENP7SENP6
SCHEMBL24921405 0.78 MAP4K4 (0.37) MAP4K4CA1CA2CA9PDE10A
SCHEMBL13246579 0.77 USP7 (0.50) MAP4K4PDE10APOLBCASP3SENP7

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-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 — — US disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 — — US disclosed
CN-112566697-A Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2021-03-26 — — CN disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 — — US disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 — — US disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS 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 (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-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS MAP4K4 2436/4885SMYD3 4569/4885CA1 4016/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS MAP4K4 2436/4885SMYD3 4569/4885CA1 4016/4885

“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.