SCHEMBL24908744

SCHEMBL24908744

CCc1ncnc2c(C)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
YTHDC1 Q96MU7 2/20 0.33
YTHDF2 Q9Y5A9 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 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
SCHEMBL24121974 0.78 PDPK1 (0.46) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL11330441 0.77 PDPK1 (0.42) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL10120030 0.75 PI4KA (0.44) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL11337092 0.74 TP53 (0.49) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL3237641 0.73 KDM4E (0.42) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL21347895 0.70 PDPK1 (0.43) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL21539447 0.70 MTAP (0.39) ADORA2A
SCHEMBL11841747 0.69 CCNB2 (0.51)
SCHEMBL3241299 0.69 KDM4E (0.36)
SCHEMBL2808798 0.68 CCNB2 (0.56)

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-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 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-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 PDPK1 4458/4885YTHDC1 4269/4885YTHDF2 3774/4885

“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.