SCHEMBL19874651

SCHEMBL19874651

CCn1c(=O)[nH]c(=O)c2c1nc(Nc1nc3ccccc3[nH]1)n2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TPH2 Q8IWU9 15/20 1.00
▸ TPH1 P17752 14/20 0.65
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ POLB P06746 2/20 0.50
▸ BRAF P15056 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL19874657 0.92 TPH2 (0.85) TPH2TPH1MEN1KMT2APOLB
SCHEMBL19874715 0.90 TPH2 (0.82) TPH2TPH1MEN1KMT2APOLB
SCHEMBL19874720 0.79 TPH2 (1.00) TPH2TPH1MEN1KMT2A
SCHEMBL19874757 0.78 TPH2 (1.00) TPH2TPH1
SCHEMBL22105477 0.76 MEN1 (0.68) TPH2TPH1MEN1KMT2ABRAF
SCHEMBL19874606 0.73 TPH2 (1.00) TPH2TPH1
SCHEMBL18039282 0.71 TPH2 (1.00) TPH2TPH1
SCHEMBL21389577 0.71 MEN1 (1.00) TPH2TPH1MEN1KMT2AGAA
SCHEMBL19874643 0.71 TPH2 (1.00) TPH2TPH1MEN1KMT2A
SCHEMBL21389543 0.70 BRD4 (0.63) TPH2TPH1MEN1KMT2APOLB

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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