SCHEMBL4020520

SCHEMBL4020520

Nc1ccc(N2CCCC2)nn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.57
▸ CNR2 P34972 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ UBE2T Q9NPD8 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HRH4 Q9H3N8 4/20 0.40
▸ BPTF Q12830 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL4020924 0.98 CYP1A2 (0.60) CYP1A2CNR2ALDH1A1MAPK1MAP4K4
SCHEMBL18291520 0.84 HRH4 (0.50) CYP1A2MAP4K4HRH4
SCHEMBL14503215 0.84 CYP1A2 (0.75) CYP1A2CNR2ALDH1A1MAPK1CHRM4
SCHEMBL2866512 0.83 CYP1A2 (0.40) CYP1A2CNR2ALDH1A1SMN1; SMN2HTT
SCHEMBL3723054 0.82 BPTF (0.62) CYP1A2ALDH1A1MAPK1HTTHRH4
SCHEMBL611989 0.82 HRH4 (0.51) CYP1A2ALDH1A1MAP4K4HRH4
SCHEMBL106639 0.82 MEN1 (0.54) CYP1A2CNR2ALDH1A1SMN1; SMN2HTT
SCHEMBL31047535 0.82 MEN1 (0.54) CYP1A2CNR2ALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL21274572 0.80 BPTF (0.61) CYP1A2ALDH1A1MAPK1HTTHRH4
SCHEMBL23612057 0.79 CNR2 (0.50) CYP1A2CNR2SMN1; SMN2BPTFNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 — — US disclosed
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 — — EP disclosed
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 — — CN disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 — — WO disclosed
EP-3380468-B1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2020-05-20 — — EP disclosed
WO-2017089587-A1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-01 — — WO disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 — — WO disclosed
US-4104385-A Cyclic alkylidenyl N-[6-(amino)-3-pyridazinyl]aminomethylenemalonates STERLING DRUG INC. (US) 1978-08-01 — — 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 (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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 CYP1A2 4857/4885CNR2 1063/4885ALDH1A1 4634/4885
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CYP1A2 1621/4885CNR2 15/4885ALDH1A1 3958/4885

“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.

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