SCHEMBL18036504

SCHEMBL18036504

Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2Cc1ccc(N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TPH2 Q8IWU9 16/20 1.00
▸ TPH1 P17752 13/20 1.00
▸ ALDH1A1 P00352 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ BRCA1 P38398 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ MAPT P10636 1/20 0.64
▸ PKM P14618 1/20 0.61
▸ POLB P06746 1/20 0.58

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
SCHEMBL18036502 0.87 TPH2 (1.00) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL18036499 0.85 TPH2 (1.00) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL18036480 0.81 TPH2 (1.00) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL18036515 0.79 TPH2 (1.00) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL19874643 0.78 TPH2 (1.00) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL18036510 0.78 TPH2 (0.73) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL18036505 0.78 TPH2 (1.00) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL19874757 0.78 TPH2 (1.00) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL18036526 0.78 TPH2 (0.86) TPH2TPH1ALDH1A1USP2MAPK1
SCHEMBL18036501 0.77 TPH2 (0.87) TPH2TPH1ALDH1A1USP2MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262044-B1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-02-06 — — EP disclosed
EP-3262044-B1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-02-06 — — EP disclosed
US-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-02-22 — — US disclosed
US-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-02-22 — — US disclosed
US-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-02-22 — — US disclosed
EP-3061761-A1 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same Max-Delbrück-Centrum für Molekulare Medizin (DE) 2016-08-31 — — EP disclosed
EP-3061761-A1 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same Max-Delbrück-Centrum für Molekulare Medizin (DE) 2016-08-31 — — EP 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-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME TPH1, XDH, TPH2 TPH2 3/4885TPH1 1/4885ALDH1A1 285/4885

“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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