SCHEMBL27188809

SCHEMBL27188809

Cc1c(F)cncc1CNC(=O)c1cnc(C2CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ MAPK11 Q15759 3/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ BUB1 O43683 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ ACSL5 Q9ULC5 1/20 0.37
▸ STK24 Q9Y6E0 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ ROCK2 O75116 3/20 0.36
▸ SCN2A Q99250 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ NR1H4 Q96RI1 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
SCHEMBL29896108 1.00 MAPK14 (0.37) MAPK14CYP2C9MAPK11HDAC1BUB1
SCHEMBL27188805 0.86 MAPK14 (0.36) MAPK14CYP2C9MAPK11HDAC1BUB1
SCHEMBL29896161 0.86 MAPK14 (0.36) MAPK14CYP2C9MAPK11HDAC1BUB1
SCHEMBL27188839 0.85 ROCK2 (0.46) ROCK2SCN2ASCN10A
SCHEMBL29896182 0.85 ROCK2 (0.46) ROCK2SCN2ASCN10A
SCHEMBL27188894 0.81 HPGDS (0.39) HPGDLMNABTKROCK2EPHX2
SCHEMBL29896109 0.79 P2RX7 (0.36) HDAC1ROCK2SCN2ASCN10AEPHX2
SCHEMBL27188844 0.79 P2RX7 (0.36) HDAC1ROCK2SCN2ASCN10AEPHX2
SCHEMBL29896122 0.79 EPHX2 (0.40) MAPK14CYP2C9MAPK11HDAC1BUB1
SCHEMBL27188814 0.79 EPHX2 (0.40) MAPK14CYP2C9MAPK11HDAC1BUB1

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
EP-4034257-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-05-22 — — EP claimed
US-11952344-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-09 — — 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-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B MAPK14 835/4885CYP2C9 4278/4885MAPK11 1039/4885

“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