SCHEMBL4409649

SCHEMBL4409649

Cc1c[c]c2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CCR1 P32246 4/20 0.44
CCR8 P51685 4/20 0.44
CCR5 P51681 3/20 0.44
PSMD14 O00487 2/20 0.44
COPS5 Q92905 2/20 0.44
CYP1A2 P05177 1/20 0.37
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL2288767 0.78 NR4A2 (0.46) ALDH1A1CCR1CCR8CCR5CYP1A2
SCHEMBL3292120 0.77 ALDH1A1 (0.44) ALDH1A1CCR1CCR8CCR5CYP1A2
SCHEMBL16049733 0.77 HTT (0.35) ALDH1A1CCR1CCR8CCR5CYP1A2
SCHEMBL2236643 0.77 RAB9A (0.44) ALDH1A1CYP1A2TDP1KDM4EHSP90AA1
SCHEMBL14843830 0.71 CCR1 (0.42) ALDH1A1CCR1CCR8CCR5PSMD14
SCHEMBL2889003 0.69 CYP1A2 (0.50) ALDH1A1CCR1CCR8CCR5PSMD14
SCHEMBL5926064 0.69 ALDH1A1 (0.48) ALDH1A1CCR1CCR8CCR5PSMD14
SCHEMBL19695 0.69 TSHR (0.42) ALDH1A1CCR1CCR8CCR5PSMD14
SCHEMBL451887 0.68 TSHR (0.38) ALDH1A1CCR1CCR8CCR5PSMD14
SCHEMBL4397036 0.68 SMN1; SMN2 (0.36) ALDH1A1CCR1CCR8CCR5MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO claimed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP claimed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO claimed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO disclosed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
CN-104507927-A Cyclic azine compound, method for producing same, and organic electroluminescent element containing same TOSOH CORP 2015-04-08 CN disclosed
US-20060142336-A1 N-sulfonylpiperidines as metalloproteinase inhibitors (tace) ASTRAZENECA AB (SE) 2006-06-29 US disclosed
EP-1539706-A1 1-SULPHONYL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 EP disclosed
EP-1539740-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
EP-1534281-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) Astrazeneca AB (SE) 2005-06-01 EP disclosed
WO-2004024715-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
WO-2004024721-A1 HYDANTOIN DERIVATIVES UND DEREN VERWENDUNG ALS TACE INHIBITOREN ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
WO-2004024698-A1 1-SULPHONYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
WO-2004006925-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) ASTRAZENECA AB (SE) 2004-01-22 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-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA ALDH1A1 414/4885CCR1 1901/4885CCR8 2579/4885
US-20060142336-A1 N-sulfonylpiperidines as metalloproteinase inhibitors (tace) ADAM10, ADAM9, CTRL ALDH1A1 3388/4885CCR1 476/4885CCR8 1262/4885

“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.