Sugi Predict

Sugi Predict / Compounds / SCHEMBL5778345

SCHEMBL5778345

SCHEMBL5778345

COc1cc(F)c(C2=NC(C)(C)CO2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ IL2 P60568 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ GRM8 O00222 1/20 0.33
▸ GRM7 Q14831 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 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
SCHEMBL5777152 0.88 LMNA (0.38) LMNAMAPTHTTKDM4EHRH3
SCHEMBL5772394 0.87 LMNA (0.37) LMNAMAPTHTTKDM4EHRH3
SCHEMBL5777628 0.85 LMNA (0.36) LMNAMAPTHTTKDM4EHRH3
SCHEMBL5777769 0.84 LMNA (0.35) LMNAMAPTHTTKDM4EHRH3
SCHEMBL610883 0.83 HTT (0.47) LMNAMAPTHTTKDM4EHRH3
SCHEMBL5775964 0.83 LMNA (0.37) LMNAMAPTHTTKDM4E
SCHEMBL10768863 0.79 KDM4E (0.45) LMNAMAPTHTTKDM4EHRH3
SCHEMBL24718227 0.78 LMNA (0.46) LMNAMAPTHTTKDM4EHRH3
SCHEMBL30798594 0.78 LMNA (0.46) LMNAMAPTHTTKDM4EHRH3
SCHEMBL2886677 0.77 KDM4E (0.59) LMNAMAPTHTTKDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 — — EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 — — US disclosed
EP-1542677-A1 COMBINATIONS OF ATORVASTATIN AND a1, ADRENERGIC RECEPTOR ANTA GONISTS Pfizer Limited (GB) 2005-06-22 — — EP disclosed
EP-1483257-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2004-12-08 — — EP disclosed
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists PFIZER INC 2004-07-08 — — US disclosed
WO-2004026300-A1 COMBINATIONS OF ATORVASTATIN AND α1, ADRENERGIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2004-04-01 — — WO disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 — — US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 — — 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 (2 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 LMNA 945/4885MAPT 4800/4885HTT 2071/4885
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists ADRA1A, ADRA1D, ADRB1 LMNA 2428/4885MAPT 2939/4885HTT 2522/4885

“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.