SCHEMBL5427198

SCHEMBL5427198

Cc1cc2c(NCCc3ccccc3)nc(Cl)nc2s1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.60
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ ESR1 P03372 1/20 0.46
▸ BCHE P06276 4/20 0.45
▸ ACHE P22303 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GALR3 O60755 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ PDE5A O76074 2/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL31045039 0.93 APP (0.51) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL5426412 0.87 ALDH1A1 (0.50) APPBCHEACHENPC1RAB9A
SCHEMBL7013493 0.87 APP (0.58) APPESR1BCHEACHEPDE5A
SCHEMBL20667996 0.84 APP (0.46) APPBCHEACHENPC1RAB9A
SCHEMBL5442994 0.83 NPC1 (0.50) APPBCHEACHENPC1RAB9A
SCHEMBL5439766 0.83 SLC6A3 (0.46) APPBCHEACHENPC1RAB9A
SCHEMBL5121456 0.82 NPC1 (0.45) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL31044730 0.81 NPC1 (0.39) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL5130002 0.80 KDM4E (0.64) PDE5A
SCHEMBL31045122 0.80 NPC1 (0.39) APPCYP2D6CYP2C19CYP1A2CYP3A4

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-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
EP-1799687-A1 NOVEL THIENO-PYRIDINE AND THIENO-PYRIMIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-27 — — EP disclosed
WO-2006030031-A1 NOVEL THIENO-PYRIDINE AND THIENO-PYRIMIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 — — 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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 APP 1092/4885CYP2D6 934/4885CYP2C19 830/4885

“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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