SCHEMBL23920036

SCHEMBL23920036

COc1ccc(-c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.65
MAPT P10636 3/20 0.65
MAPK1 P28482 5/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 2/20 0.56
ADORA1 P30542 3/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 2/20 0.48
HCRTR1 O43613 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
ADORA2A P29274 1/20 0.47
EGFR P00533 1/20 0.46
BRD4 O60885 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL29332772 0.86 PDCD1 (0.49) KDM4EMAPTMAPK1TSHRHPGD
SCHEMBL29331892 0.84 KDM4E (0.56) KDM4EMAPTMAPK1LMNATSHR
SCHEMBL31139637 0.82 KDM4E (0.69) KDM4EMAPTMAPK1LMNATSHR
SCHEMBL31139659 0.82 KDM4E (0.69) KDM4EMAPTMAPK1LMNATSHR
SCHEMBL31139640 0.79 KDM4E (0.58) KDM4EMAPTMAPK1LMNATSHR
SCHEMBL27886268 0.77 KDM4E (0.60) KDM4EMAPTMAPK1LMNATSHR
SCHEMBL6250849 0.76 ALDH1A1 (0.77) KDM4EMAPTMAPK1LMNATSHR
SCHEMBL31139645 0.73 BRD4 (0.59) KDM4EMAPTMAPK1LMNAADORA1
SCHEMBL27903042 0.73 KDM4E (0.67) KDM4EMAPTMAPK1ADORA1MEN1
SCHEMBL31139634 0.72 KDM4E (0.61) KDM4EMAPTMAPK1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2021-10-14 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-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 KDM4E 586/4885MAPT 1310/4885MAPK1 1004/4885
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 IL4, IL2, IL4I1 KDM4E 586/4885MAPT 1310/4885MAPK1 1004/4885

“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.