SCHEMBL5429104

SCHEMBL5429104

CCc1cc2c(NCCc3ccc(OC)cc3)nc(C)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 3/20 0.47
▸ PTGDR Q13258 2/20 0.44
▸ PRKCI P41743 1/20 0.44
▸ TSHR P16473 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL5429794 0.87 NPC1 (0.53) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL5441331 0.87 ADORA2A (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL5432213 0.87 NPC1 (0.56) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL5429336 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5426582 0.81 PTGDR (0.48) SMN1; SMN2PTGDRTSHR
SCHEMBL5432244 0.81 RAB9A (0.46) KDM4EALDH1A1HSD17B10PTGDRTSHR
SCHEMBL5432174 0.80 RAB9A (0.50) KDM4ESMN1; SMN2LMNAPTGDRTSHR
SCHEMBL5429124 0.79 KDM4E (0.49) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL5435676 0.79 MAPT (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL5432241 0.77 RAB9A (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1

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 KDM4E 1994/4885ALDH1A1 3149/4885HSD17B10 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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