SCHEMBL1829985

SCHEMBL1829985

Cn1cnc(C(=O)NCc2ccc(CO)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
GRM2 Q14416 1/20 0.51
EPHX2 P34913 1/20 0.47
KLKB1 P03952 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MMP13 P45452 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MLLT1 Q03111 1/20 0.40
TP53 P04637 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
SCHEMBL2943276 0.87 L3MBTL1 (0.50) L3MBTL1GRM2KLKB1SMN1; SMN2MMP13
SCHEMBL17546560 0.87 KLKB1 (0.57) L3MBTL1GRM2KLKB1SMN1; SMN2MLLT1
SCHEMBL17546565 0.81 KLKB1 (0.63) L3MBTL1GRM2KLKB1SMN1; SMN2CYP1A2
SCHEMBL1050914 0.78 MMP13 (0.50) L3MBTL1GRM2KLKB1SMN1; SMN2MMP13
SCHEMBL3266560 0.77 GRM2 (0.42) L3MBTL1GRM2
SCHEMBL24253400 0.75 KCNA3 (0.41) L3MBTL1GRM2CYP2C9CYP2C19
SCHEMBL17546602 0.75 KLKB1 (0.63) L3MBTL1GRM2KLKB1MMP13
SCHEMBL12911102 0.73 P2RX7 (0.42) GRM2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL22231667 0.73 KCNA3 (0.39) GRM2
SCHEMBL12231396 0.73 GRM2 (0.63) L3MBTL1GRM2KLKB1SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
EP-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC L3MBTL1 4877/4885GRM2 2836/4885EPHX2 774/4885

“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.