SCHEMBL22736157

SCHEMBL22736157

N#CCC(=O)Nc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.42
▸ JAK1 P23458 10/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ JAK2 O60674 9/20 0.41
▸ GRM4 Q14833 3/20 0.40
▸ AAK1 Q2M2I8 1/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL22736159 0.81 GRM4 (0.45) JAK3JAK1TYK2JAK2GRM4
SCHEMBL29567533 0.78 EGLN1 (0.36) JAK3JAK1TYK2JAK2GRM4
SCHEMBL22735720 0.78 EGLN1 (0.36) JAK3JAK1TYK2JAK2GRM4
SCHEMBL29480583 0.74 JAK2 (0.40) JAK3JAK1TYK2JAK2
SCHEMBL22736087 0.74 GRM4 (0.39) JAK3JAK1TYK2JAK2GRM4
SCHEMBL29480577 0.74 GRM4 (0.39) JAK3JAK1TYK2JAK2GRM4
SCHEMBL29480526 0.74 GRM4 (0.44) GRM4HTR2BMTNR1AKCNH2
SCHEMBL22716872 0.74 GRM4 (0.44) GRM4HTR2BMTNR1AKCNH2
SCHEMBL22736178 0.74 JAK2 (0.36) JAK3JAK1TYK2JAK2GRM4
SCHEMBL22736154 0.72 GRM4 (0.41) JAK1JAK2GRM4HTR2BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP claimed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN claimed
US-12516056-B2 Compounds for inhibition of janus kinase 1 MANKIND PHARMA LTD. (IN) 2026-01-06 — — US disclosed
US-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2022-07-28 — — US disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO 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 JAK3 3/4885JAK1 1/4885TYK2 11/4885

“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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