SCHEMBL554932

SCHEMBL554932

CCn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.81
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ BRD2 P25440 2/20 0.66
▸ BRD3 Q15059 2/20 0.66
▸ BRDT Q58F21 2/20 0.66
▸ PDE4A P27815 3/20 0.60
▸ ADORA2A P29274 3/20 0.60
▸ PDE4B Q07343 3/20 0.60
▸ PDE4C Q08493 3/20 0.60
▸ PDE4D Q08499 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55

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
SCHEMBL556233 0.91 BRD4 (0.82) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL7607643 0.90 PDE4A (0.74) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL19090444 0.90 BRD4 (1.00) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL22105578 0.89 BRD4 (0.65) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL3104007 0.88 MEN1 (0.75) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL27600173 0.87 BRD4 (0.70) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL1713302 0.87 MEN1 (0.70) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL7605036 0.86 BRD4 (0.68) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL557088 0.86 MEN1 (0.68) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL2795748 0.85 POLB (0.75) BRD4MEN1KMT2ABRD2BRD3

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 — — EP disclosed
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-09 — — US disclosed
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-14 — — US disclosed
US-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — US disclosed
WO-2020120450-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — WO disclosed
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 — — US disclosed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 — — EP disclosed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 — — US disclosed
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 — — EP disclosed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 — — US disclosed
CN-1066146-C Use of theophylline derivatives for curing and preventing shock state, xanthine derivatives and preparation thereof AVENTIS PHARMACEUTICALS AG (DE) 2001-05-23 — — CN disclosed
US-6214992-B1 THEOPHYLLINE DERIVATIVES HAVING AT LEAST ONE ETHER FUNCTION IN METHYL RADICAL; XANTHINE COMPOUNDS WITH THIS SUBSTITUTION PATTERN USED AS ANTISHOCK TREATMENT HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-10 — — US disclosed
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
CN-1169993-A Use of theophylline derivatives for curing and preventing shock state, xanthine derivatives and preparation thereof HOECHST AG (DE) 1998-01-14 — — CN disclosed
EP-0812844-A2 Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-17 — — EP disclosed
CN-1158855-A Alkylxanthine phosphonates and alkylxanthine phosphine oxides and their use as pharmacueticals HOECHST AG (DE) 1997-09-10 — — CN disclosed
EP-0771813-A1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 — — EP disclosed
CN-1145029-A Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophils, xanthine compounds and process for their preparation HOECHST AG (DE) 1997-03-12 — — CN disclosed
EP-0758239-A1 USE OF XANTHINE DERIVATIVES FOR REDUCING THE PATHOLOGICAL HYPER-REACTIVITY OF EOSINOPHILIC GRANULOCYTES, NOVEL XANTHINE COMPOUNDS AND PROCESS FOR PRODUCING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-19 — — EP disclosed
WO-1995026727-A1 USE OF XANTHINE DERIVATIVES FOR REDUCING THE PATHOLOGICAL HYPER-REACTIVITY OF EOSINOPHILIC GRANULOCYTES, NOVEL XANTHINE COMPOUNDS AND PROCESS FOR PRODUCING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-12 — — 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 (6 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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 BRD4 2577/4885MEN1 3286/4885KMT2A 4474/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 BRD4 2141/4885MEN1 4208/4885KMT2A 4085/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BRD4 3021/4885MEN1 3162/4885KMT2A 3475/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 BRD4 2381/4885MEN1 3627/4885KMT2A 4516/4885

“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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