SCHEMBL23940244

SCHEMBL23940244

CCCCCC(CCC)n1ccc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.52
SLC6A4 P31645 11/20 0.43
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
SLC2A1 P11166 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
SCHEMBL8593650 0.98 SLC6A2 (0.51) SLC6A2SLC6A4CDK4CCND1SLC2A1
SCHEMBL10774534 0.97 SLC6A2 (0.51) SLC6A2SLC6A4CDK4CCND1
SCHEMBL22810523 0.95 SLC6A2 (0.50) SLC6A2SLC6A4CDK4CCND1
SCHEMBL29412428 0.92 SLC6A2 (0.59) SLC6A2SLC6A4CDK4CCND1SLC2A1
SCHEMBL704340 0.92 SLC6A2 (0.59) SLC6A2SLC6A4CDK4CCND1SLC2A1
SCHEMBL23940127 0.91 SLC6A2 (0.49) SLC6A2SLC6A4CDK4CCND1
SCHEMBL2356506 0.90 SLC6A2 (0.46) SLC6A2SLC6A4CDK4CCND1
SCHEMBL30619477 0.89 SLC6A2 (0.48) SLC6A2SLC6A4CDK4CCND1
SCHEMBL11168356 0.83 SLC6A2 (0.50) SLC6A2SLC6A4CDK4CCND1
SCHEMBL30641149 0.78 SLC6A2 (0.50) SLC6A2SLC6A4CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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 (1 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 SLC6A2 3405/4885SLC6A4 4163/4885CDK4 1019/4885

“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.