SCHEMBL5622602

SCHEMBL5622602

COc1ccccc1CNC(=Nc1nc(C(F)(F)F)cs1)N/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5622620 0.89 POLB (0.50) POLBPKMROCK2ROCK1MAPT
SCHEMBL5623221 0.79 KMT2A (0.43) POLBPKMMAPTHTTNPSR1
SCHEMBL2379645 0.78 ATP4A (0.43) POLBPKMROCK2ROCK1MAPT
SCHEMBL5621784 0.75 L3MBTL1 (0.38) PKMROCK2ROCK1MAPTNPSR1
SCHEMBL5623512 0.68 MAPK1 (0.39) POLBPKMROCK2ROCK1SMN1; SMN2
SCHEMBL2380537 0.67 ATP4A (0.41) MAPTNPSR1KDM4ELMNASMN1; SMN2
SCHEMBL2379641 0.67 ROCK2 (0.50) POLBPKMROCK2ROCK1SMN1; SMN2
SCHEMBL2524788 0.66 MAPT (0.52) POLBMAPTHTTLMNASMN1; SMN2
SCHEMBL2379523 0.66 POLB (0.54) POLBPKMROCK2ROCK1MAPT
SCHEMBL2380784 0.65 ATP4A (0.53) PKMROCK2ROCK1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 US 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-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 POLB 4113/4885PKM 1978/4885ROCK2 2018/4885

“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.