SCHEMBL6063458

SCHEMBL6063458

CCOC(=O)c1cc(F)cnc1Oc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 2/20 0.43
PTGER4 P35408 4/20 0.42
NPSR1 Q6W5P4 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPT P10636 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.39
GRM7 Q14831 1/20 0.39

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
SCHEMBL5749360 0.83 L3MBTL1 (0.45) TSHRMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6064161 0.83 CYP1A2 (0.60) MEN1KMT2AALDH1A1CYP1A2L3MBTL1
SCHEMBL7372704 0.82 NPC1 (0.54) TSHRKMT2AALDH1A1CYP1A2L3MBTL1
SCHEMBL5693370 0.80 NPSR1 (0.50) MEN1KMT2AALDH1A1CYP1A2L3MBTL1
SCHEMBL6063382 0.80 PTGER4 (0.48) MEN1KMT2APTGER4
SCHEMBL5750409 0.79 CYP1A2 (0.46) KMT2AALDH1A1CYP1A2L3MBTL1CYP2C9
SCHEMBL24294928 0.78 KDM4E (0.47) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6898388 0.77 KMT2A (0.45) TSHRMEN1KMT2AALDH1A1CYP1A2
SCHEMBL2086658 0.76 CASP1 (0.47) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4449431 0.72 PTGER4 (0.57) ALDH1A1CYP1A2L3MBTL1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060717-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-13 US disclosed
US-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2006-01-19 US disclosed
US-6949573-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2005-09-27 US disclosed
EP-1476158-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2004-11-17 EP disclosed
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2004-11-11 US disclosed
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases PFIZER INC. 2003-11-27 US disclosed
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2003-11-27 US disclosed
WO-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 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 (4 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-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C TSHR 4618/4885MEN1 3563/4885KMT2A 2770/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 TSHR 1526/4885MEN1 3795/4885KMT2A 2623/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C TSHR 4618/4885MEN1 3563/4885KMT2A 2770/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C TSHR 4618/4885MEN1 3563/4885KMT2A 2770/4885

“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.