SCHEMBL5426412

SCHEMBL5426412

Cc1nc(NCCc2ccccc2)c2cc(C)sc2n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.47
▸ APP P05067 6/20 0.47
▸ BCHE P06276 4/20 0.47
▸ ACHE P22303 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GALR3 O60755 1/20 0.46
▸ NR2F2 P24468 1/20 0.46
▸ PDE5A O76074 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ FGFR1 P11362 1/20 0.44

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 0.92 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5423226 0.91 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5427207 0.90 GALR3 (0.48) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5423234 0.89 NPC1 (0.46) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5429124 0.88 KDM4E (0.49) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5427198 0.87 APP (0.60) APPBCHEACHENPC1RAB9A
SCHEMBL5438221 0.87 L3MBTL1 (0.48) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL5444805 0.87 SMN1; SMN2 (0.47) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5436049 0.87 NPC1 (0.47) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL5433559 0.87 NPC1 (0.47) ALDH1A1KDM4ELMNAMAPTHTT

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-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

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 1994/4885LMNA 4777/4885

“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.

Send feedback