SCHEMBL4775826

SCHEMBL4775826

COC(=O)c1cccc(Nc2ncc(F)cc2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.53
MAPK1 P28482 4/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
ABCB1 P08183 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.48
PKM P14618 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
ROCK1 Q13464 1/20 0.47
RAB9A P51151 3/20 0.47
CREBBP Q92793 1/20 0.47

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
SCHEMBL17110905 0.88 AKR1C3 (0.55) MAPK1TP53MAPTALDH1A1SMN1; SMN2
SCHEMBL17110898 0.84 MEN1 (0.68) MAPK1TSHRMAPTALDH1A1CYP1A2
SCHEMBL15635777 0.83 LMNA (0.58) MAPK1LMNAABCG2ALDH1A1CYP1A2
SCHEMBL15635512 0.83 LMNA (0.54) MAPK1LMNATP53MAPTKDM4E
SCHEMBL17112624 0.82 MAPT (0.50) MAPK1LMNATP53MAPTALDH1A1
SCHEMBL15636037 0.82 DHODH (0.58) LMNAMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5252367 0.81 MEN1 (0.71) PDE5AMAPK1LMNATP53TSHR
SCHEMBL869587 0.80 DHODH (0.46) MAPK1LMNAMAPTABCG2ALDH1A1
SCHEMBL870223 0.80 DHODH (0.53) LMNAALDH1A1CYP1A2PKMMEN1
SCHEMBL17110923 0.80 MEN1 (0.58) MAPK1TSHRMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 US disclosed
CN-101258152-A Pyridopyrimidine derivatives as PDE4 inhibitors for the treatment of inflammatory and immune diseases ASTRAZENECA AB (SE) 2008-09-03 CN disclosed
EP-1922318-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PDE4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND' IMMUNE DISEASES AstraZeneca AB (SE) 2008-05-21 EP disclosed
WO-2007004958-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PDE4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND' IMMUNE DISEASES ASTRAZENECA AB (SE) 2007-01-11 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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases PDE4A, PDE4B, PDE5A PDE5A 3/4885MAPK1 381/4885LMNA 4229/4885

“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.