SCHEMBL4667126

SCHEMBL4667126

Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.76
▸ MDM2 Q00987 1/20 0.76
▸ ALDH1A1 P00352 5/20 0.71
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ BRAF P15056 1/20 0.70
▸ MAPK1 P28482 3/20 0.67
▸ POLB P06746 3/20 0.67
▸ CXCL8 P10145 2/20 0.67
▸ NOD2 Q9HC29 2/20 0.67
▸ NOD1 Q9Y239 2/20 0.67
▸ HTT P42858 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ TNF P01375 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ G6PD P11413 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ PAX8 Q06710 1/20 0.67
▸ TLR9 Q9NR96 1/20 0.67
▸ LMNA P02545 1/20 0.67

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
SCHEMBL17845827 0.93 RECQL (0.67) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL27411452 0.89 ALDH1A1 (0.67) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL16028621 0.89 ATM (0.71) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL16076188 0.88 BRDT (0.71) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL22800992 0.87 RECQL (0.62) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL22800983 0.86 ALDH1A1 (0.66) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL6348692 0.86 BRAF (0.72) ALDH1A1MEN1KMT2ABRAFMAPK1
SCHEMBL555082 0.86 BRAF (0.72) ALDH1A1MEN1KMT2ABRAFMAPK1
SCHEMBL22800918 0.85 HPGD (0.81) RECQLMDM2ALDH1A1MEN1KMT2A
SCHEMBL637424 0.85 ALDH1A1 (0.76) RECQLMDM2ALDH1A1MEN1KMT2A

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 31 patents — showing the first 20. 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
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-3262044-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-01-03 — — EP disclosed
WO-2016135199-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2016-09-01 — — WO 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
CN-102807568-B Thiadiazoles derivative class DPP-IV inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-25 — — CN disclosed
CN-102807568-A Thiadiazole derivative DPP-IV (dipeptidyl peptidase IV) inhibitor JIANGSU CHIA TAI TIANQING PHAR 2012-12-05 — — CN disclosed
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 — — EP disclosed
EP-1690864-B1 TRICYCLIC PURINE COMPOUNDS AND THEIR ANALOGS AS INHIBITORS OF CYTOKINE SIGNALLING CELL THERAPEUTICS INC (US) 2008-03-05 — — EP disclosed
US-7247630-B2 Uses of tricyclic compounds CELL THERAPEUTICS, INC. (US) 2007-07-24 — — US disclosed
EP-1347976-A2 TRICYCLIC PURINE COMPOUNDS AND THEIR ANALOGS AS INHIBIOTRS OF CYTOKINE SIGNALLING CELL THERAPEUTICS, INC. (US) 2003-10-01 — — EP disclosed
US-20030162801-A1 Tricyclic compounds and their uses GONG BAOQING (US) 2003-08-28 — — US disclosed
US-6586429-B2 For treatment of chronic inflammatory disease, chronic intestinalinflammation, arthritis, psoriasis, asthma, autoimmune disorders CELL THERAPEUTICS, INC. 2003-07-01 — — US disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 — — US disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 — — WO disclosed
WO-2002068421-A2 TRICYCLIC COMPOUNDS AND THEIR ANALOGS AS INHIBITORS OF CYTOKINE SIGNALING CELL THERAPEUTICS, INC. (US) 2002-09-06 — — WO disclosed
US-20020103211-A1 TRICYCLIC FUSED XANTHINE COMPOUNDS AND THEIR USES CELL THERAPEUTICS, INC. 2002-08-01 — — US disclosed
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CELL THERAPEUTICS, INC. 2002-03-07 — — US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 — — EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 — — WO 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 (5 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-20030162801-A1 Tricyclic compounds and their uses NFATC1, MAVS, STAT3 RECQL 2658/4885MDM2 825/4885ALDH1A1 3429/4885
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 RECQL 3796/4885MDM2 3219/4885ALDH1A1 919/4885
US-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME TPH1, XDH, TPH2 RECQL 1699/4885MDM2 4331/4885ALDH1A1 285/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 RECQL 3307/4885MDM2 3167/4885ALDH1A1 55/4885
US-20020103211-A1 TRICYCLIC FUSED XANTHINE COMPOUNDS AND THEIR USES XDH, MAVS, TPX2 RECQL 1427/4885MDM2 3170/4885ALDH1A1 2834/4885

“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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