Sugi Predict

Sugi Predict / Compounds / SCHEMBL6207036

SCHEMBL6207036

SCHEMBL6207036

Nc1nnc(-c2cc(Cl)c(F)c(F)c2Nc2ccc(I)cc2F)o1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 14/20 0.40
▸ MAP2K2 P36507 7/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ AURKA O14965 2/20 0.34
▸ SRC P12931 2/20 0.34
▸ TNFRSF1A P19438 2/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ STK3 Q13188 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ EPHA2 P29317 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ MAP3K9 P80192 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CAMK2B Q13554 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
SCHEMBL6206815 0.85 MAP2K1 (0.51) MAP2K1MAP2K2IDO1PIM1CAMK2B
SCHEMBL6138094 0.80 MEN1 (0.43) MAP2K1MAP2K2IDO1NOTUMPIM1
SCHEMBL6138004 0.79 MAP2K1 (0.41) MAP2K1MAP2K2NOTUMSRC
SCHEMBL6137838 0.76 MEN1 (0.36) MAP2K1MAP2K2IDO1
SCHEMBL6137572 0.76 MAP2K1 (0.40) MAP2K1MAP2K2IDO1PIM1CAMK2B
SCHEMBL3883718 0.75 MAP2K1 (0.42) MAP2K1MAP2K2IDO1
SCHEMBL5475041 0.73 MAP2K1 (0.35) MAP2K1MAP2K2IDO1
SCHEMBL6137573 0.73 MEN1 (0.36) MAP2K1MAP2K2IDO1
SCHEMBL5484767 0.72 PIM1 (0.38) MAP2K1MAP2K2PIM1
SCHEMBL5481433 0.71 MAP2K1 (0.39) MAP2K1MAP2K2IDO1

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-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 — — EP disclosed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 — — US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 — — 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 MAP2K1 46/4885MAP2K2 40/4885IDO1 208/4885

“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.