SCHEMBL6733057

SCHEMBL6733057

CCS(=O)(=O)NCc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
POLB P06746 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 2/20 0.55
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
IDO1 P14902 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL7416787 0.89 TSHR (0.55) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL7011029 0.85 NAMPT (0.57) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL3597587 0.84 TSHR (0.60) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL1837988 0.84 TDP1 (0.53) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL7007840 0.84 TDP1 (0.53) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL7423225 0.83 KDM4E (0.56) SMN1; SMN2
SCHEMBL1099625 0.83 TSHR (0.52) TSHRPOLBCYP1A2CYP2D6CYP2C19
Acetic Acid SCHEMBL28216269 0.82 MAPT (0.56) TSHRPOLBCYP1A2CYP2C19CYP3A4
SCHEMBL7534037 0.81 CYP1A2 (0.50) TSHRPOLBCYP1A2CYP2D6CYP2C19
SCHEMBL14380633 0.81 CA2 (0.61) TSHRPOLBCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP claimed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO claimed
US-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 TSHR 270/4885POLB 4334/4885CYP1A2 2283/4885

“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.