SCHEMBL29567903

SCHEMBL29567903

FC(F)(F)C(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.34
▸ MELK Q14680 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ GRM4 Q14833 4/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ KDM4A O75164 1/20 0.30
▸ KDM4B O94953 1/20 0.30
▸ KDM5C P41229 1/20 0.30
▸ KDM5B Q9UGL1 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL22736180 1.00 MAPK1 (0.34) MAPK1MELKNR1I2KCNH2GRM2
SCHEMBL29567579 0.87 MAPK1 (0.38) MAPK1MELKGRM4KDM4AKDM4B
SCHEMBL22736009 0.87 MAPK1 (0.38) MAPK1MELKGRM4KDM4AKDM4B
SCHEMBL22736186 0.86 MAPK1 (0.42) MAPK1MELKGRM4KDM4AKDM4B
SCHEMBL29567713 0.86 MAPK1 (0.42) MAPK1MELKGRM4KDM4AKDM4B
SCHEMBL29480635 0.84 ALDH1A1 (0.38) MAPK1MELKGRM4TLR8TLR7
SCHEMBL22736297 0.84 ALDH1A1 (0.38) MAPK1MELKGRM4TLR8TLR7
SCHEMBL22736024 0.82 GRM4 (0.36) MAPK1GRM4
SCHEMBL29480587 0.82 GRM4 (0.35) MAPK1MELKGRM4KDM4AKDM4B
SCHEMBL22736176 0.82 GRM4 (0.34) GRM4

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 4 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
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
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP 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 MAPK1 20/4885MELK 153/4885NR1I2 2894/4885

“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.

Send feedback