SCHEMBL3764919

SCHEMBL3764919

Cc1cc(-c2cncnc2)nc(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
LDHA P00338 1/20 0.36
AR P10275 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.36
RXFP1 Q9HBX9 2/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 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
SCHEMBL3757392 0.83 LMNA (0.56) HTTKDM4ELMNALDHACYP3A4
SCHEMBL5391695 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1HTTKDM4E
SCHEMBL3755311 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL4250594 0.81 GSK3B (0.47) ALDH1A1SMN1; SMN2MAPK1HTTKDM4E
SCHEMBL1085393 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EDHODH
SCHEMBL31125623 0.75 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPK1HTTKDM4E
SCHEMBL7788152 0.75 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPK1HTTKDM4E
SCHEMBL1085376 0.71 XDH (0.56) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL30250412 0.70 AR (0.41) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL22445800 0.70 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1HTTLDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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 (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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 ALDH1A1 3358/4885SMN1; SMN2 4838/4885MAPK1 1005/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885SMN1; SMN2 4838/4885MAPK1 1005/4885

“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.