SCHEMBL19874657

SCHEMBL19874657

CCCn1c(=O)[nH]c(=O)c2c1nc(Nc1nc3ccccc3[nH]1)n2Cc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TPH2 Q8IWU9 11/20 0.85
▸ TPH1 P17752 10/20 0.66
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ BRAF P15056 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 1/20 0.47

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
SCHEMBL19874651 0.92 TPH2 (1.00) TPH2TPH1MEN1KMT2AKDM4E
SCHEMBL19874715 0.90 TPH2 (0.82) TPH2TPH1MEN1KMT2AKDM4E
SCHEMBL18039282 0.80 TPH2 (1.00) TPH2TPH1
SCHEMBL19874643 0.79 TPH2 (1.00) TPH2TPH1MEN1KMT2AALDH1A1
SCHEMBL19874720 0.71 TPH2 (1.00) TPH2TPH1MEN1KMT2A
SCHEMBL9168640 0.71 KMT2A (0.74) TPH2TPH1MEN1KMT2AKDM4E
SCHEMBL19874757 0.71 TPH2 (1.00) TPH2TPH1ALDH1A1
SCHEMBL19874755 0.70 TPH2 (1.00) TPH2TPH1
SCHEMBL18036490 0.69 TPH2 (1.00) TPH2TPH1MEN1KMT2A
SCHEMBL18036502 0.69 TPH2 (1.00) TPH2TPH1ALDH1A1BRAFGAA

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 5 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

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 1/4885MEN1 2607/4885

“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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