SCHEMBL29480654

SCHEMBL29480654

Nc1nccc(-c2cnn(-c3ccc(C(O)(C4CC4)C(F)(F)F)cn3)c2)c1N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GCK P35557 1/20 0.31
▸ AR P10275 2/20 0.31

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
SCHEMBL22736355 0.93 MELK (0.33) GRM4HDAC4KDM4EABL1LMNA
SCHEMBL29480755 0.93 MELK (0.33) GRM4HDAC4KDM4EABL1LMNA
SCHEMBL29480769 0.90 MAP3K7 (0.37) GRM4HDAC4
SCHEMBL22735955 0.90 MAP3K7 (0.37) GRM4HDAC4
SCHEMBL29480733 0.87 HDAC4 (0.33) GRM4HDAC4KDM4EABL1LMNA
SCHEMBL22735757 0.87 HDAC4 (0.33) GRM4HDAC4KDM4EABL1LMNA
SCHEMBL22735763 0.82 GRM4 (0.38) GRM4HDAC4
SCHEMBL29480667 0.82 GRM4 (0.38) GRM4HDAC4
SCHEMBL22736027 0.82 HDAC4 (0.34) GRM4HDAC4
SCHEMBL29480597 0.82 HDAC4 (0.34) GRM4HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2022-07-28 — — US disclosed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN 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-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 JAK1, JAK2, JAK3 GRM4 2623/4885HDAC4 1949/4885KDM4E 611/4885

“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.

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