SCHEMBL6207830

SCHEMBL6207830

CCc1ccc(Nc2c(-c3nnc(CCCBr)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP2K2 P36507 2/20 0.31
MAP2K1 Q02750 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
SCHEMBL6207753 0.89 MAP2K2 (0.34) APLNRLMNAL3MBTL1TDP1NPC1
SCHEMBL6398575 0.84 CHI3L1 (0.31) APLNR
SCHEMBL6206984 0.84 MAP3K8 (0.36) CYP1A2CYP2C9CYP2C19MAP2K2MAP2K1
SCHEMBL6400379 0.80 KDR (0.33) LMNAL3MBTL1
SCHEMBL6399685 0.78 ELANE (0.36) MAP2K2MAP2K1
SCHEMBL6185655 0.77 MAP2K1 (0.48) MAP2K2MAP2K1
SCHEMBL6207211 0.77 BCHE (0.37) NPC1RAB9AMAP2K2MAP2K1
SCHEMBL6400416 0.77 KDM4E (0.35) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL6187896 0.77 MAP2K1 (0.46) MAP2K2MAP2K1
SCHEMBL6205699 0.77 MAP2K1 (0.37) MAP2K2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO claimed
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP disclosed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US disclosed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 APLNR 1425/4885LMNA 3833/4885L3MBTL1 2706/4885

“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.