SCHEMBL17537004

SCHEMBL17537004

O=C(OCc1ccccc1)c1cn(C2CC2)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.47
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ STAT3 P40763 1/20 0.45
▸ GSK3B P49841 2/20 0.42
▸ CHRM2 P08172 2/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ TOP2A P11388 3/20 0.40
▸ TOP2B Q02880 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PIK3CG P48736 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
SCHEMBL16213149 0.86 DPP4 (0.46) DPP4TSHRMAPK1STAT3GSK3B
SCHEMBL5422476 0.85 ADRB2 (0.51) DPP4STAT3CHRM2DRD1ALDH1A1
SCHEMBL31689122 0.83 DPP4 (0.59) DPP4TSHRMAPK1GSK3BCHRM2
SCHEMBL30482915 0.83 DPP4 (0.59) DPP4TSHRMAPK1GSK3BCHRM2
SCHEMBL17270378 0.83 DPP4 (0.48) DPP4CHRM2DRD1POLBALDH1A1
SCHEMBL500472 0.81 DPP4 (0.57) DPP4CHRM2DRD1POLBALDH1A1
SCHEMBL23498281 0.78 DPP4 (0.49) DPP4CHRM2DRD1POLBALDH1A1
SCHEMBL5809336 0.77 ADRB2 (0.53) DPP4STAT3CHRM2DRD1ALDH1A1
SCHEMBL9269551 0.77 KDM4E (0.44) DPP4TSHRSTAT3CHRM2DRD1
SCHEMBL9289170 0.77 KDM4E (0.44) DPP4TSHRSTAT3CHRM2DRD1

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
EP-2991992-B1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-25 — — EP disclosed
US-9540399-B2 Quinolone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-10 — — US disclosed
US-20160060276-A1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-03 — — 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-20160060276-A1 QUINOLONE DERIVATIVES NQO2, QARS1, RECQL DPP4 1991/4885TSHR 3086/4885MAPK1 2533/4885

“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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