SCHEMBL5423226

SCHEMBL5423226

Cc1nc(NCCCCc2ccccc2)c2cc(C)sc2n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TLR8 Q9NR97 3/20 0.43
▸ TLR7 Q9NYK1 3/20 0.43
▸ GBA1 P04062 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SIGMAR1 Q99720 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
SCHEMBL20667984 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10TLR8TLR7
SCHEMBL5426412 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL31044731 0.87 TLR8 (0.43) TLR8TLR7GBA1
SCHEMBL31045039 0.84 APP (0.51) TLR8TLR7GBA1CYP1A2CYP2D6
SCHEMBL31044874 0.84 — —
SCHEMBL29992067 0.84 CYP1A2 (0.41) TLR8TLR7GBA1SMN1; SMN2L3MBTL1
SCHEMBL20667986 0.83 TLR8 (0.41) TLR8TLR7GBA1CYP1A2CYP2D6
SCHEMBL5444802 0.83 ICAM1 (0.48) ALDH1A1KDM4ELMNAMAPT
SCHEMBL5435521 0.83 MTNR1A (0.46) —
SCHEMBL31044779 0.82 CYP1A2 (0.40) TLR8TLR7GBA1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 — — US disclosed
CN-101061122-A Novel thieno-pyridine and thieno-pyrimidine derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 — — CN 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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 ALDH1A1 3149/4885KDM4E 1994/4885HSD17B10 3305/4885

“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.

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