SCHEMBL5438115

SCHEMBL5438115

Cc1nc(NCCOc2ccccc2)c2cc(C)sc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PIK3CD O00329 1/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ GBA1 P04062 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HTR1B P28222 2/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ DRD2 P14416 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
SCHEMBL31044753 0.87 PIK3CD (0.41) HTR7KDM4EALDH1A1HSD17B10PIK3CD
SCHEMBL31045156 0.84 GBA1 (0.41) KDM4EALDH1A1HSD17B10PIK3CDPIK3R1
SCHEMBL5426412 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL5439734 0.80 KDM4E (0.45) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL20667984 0.79 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10PIK3CDPIK3R1
SCHEMBL5444802 0.78 ICAM1 (0.48) KDM4EALDH1A1
SCHEMBL5423226 0.78 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10GBA1CYP2D6
SCHEMBL5435676 0.78 MAPT (0.48) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL5435776 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10GBA1RAB9A
SCHEMBL5425019 0.77 RAB9A (0.50) RAB9ANPC1MAPK1CLK1GALR3

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 HTR7 97/4885KDM4E 1994/4885ALDH1A1 3149/4885

“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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