SCHEMBL23564201

SCHEMBL23564201

CCCCc1ncc(C2CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.40
SPHK2 Q9NRA0 7/20 0.35
APLNR P35414 1/20 0.34

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
SCHEMBL11075962 0.90 CYP2C9 (0.43) SPHK1APLNR
SCHEMBL11075966 0.90 CYP2C9 (0.43) SPHK1APLNR
SCHEMBL11066467 0.88 MEN1 (0.42) SPHK1SPHK2
SCHEMBL11066471 0.88 MEN1 (0.42) SPHK1SPHK2
SCHEMBL26800843 0.88 SPHK1 (0.35) SPHK1
SCHEMBL11073335 0.87 MAPT (0.41) SPHK1SPHK2
SCHEMBL11073336 0.87 MAPT (0.41) SPHK1SPHK2
SCHEMBL11073489 0.86 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL11073487 0.86 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL11067229 0.85 SPHK1 (0.40) SPHK1SPHK2

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-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 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-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK SPHK1 258/4885SPHK2 326/4885APLNR 2259/4885

“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.