Sugi Predict

Sugi Predict / Compounds / SCHEMBL6207534

SCHEMBL6207534

SCHEMBL6207534

CCN(CC)CCCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ MAP2K1 Q02750 14/20 0.40
▸ MAP2K2 P36507 11/20 0.40
▸ PIM1 P11309 1/20 0.37
▸ CAMK2B Q13554 1/20 0.37
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL6207475 0.91 MAP2K1 (0.41) CHRNA7MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6399813 0.90 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL6187354 0.88 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL6187892 0.88 MAP2K1 (0.45) MAP2K1MAP2K2PIM1CAMK2BCYP3A4
SCHEMBL6186483 0.87 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL6188396 0.87 MAP2K1 (0.43) CHRNA7MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6190178 0.86 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL6208327 0.86 MAP2K1 (0.52) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL21067809 0.86 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL6399775 0.86 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2B

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 CHRNA7 4667/4885KCNH2 3852/4885MAP2K1 46/4885

“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.