SCHEMBL6259451

SCHEMBL6259451

Cc1nn(-c2cccc(Br)c2)nc1C(=O)NC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
KAT2B Q92831 1/20 0.48
HDAC1 Q13547 2/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
PLAU P00749 1/20 0.36
ALPL P05186 1/20 0.36

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
Hydrochloric Acid SCHEMBL6313034 0.99 PKM (0.47) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6321413 0.88 KDM4E (0.50) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6319215 0.87 PKM (0.66) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6263442 0.85 KDM4E (0.67) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL3709038 0.85 PKM (0.47) PKMKDM4ELMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL6312337 0.84 PKM (0.46) PKMKDM4ELMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL6313762 0.84 KDM4E (0.65) PKMKDM4ELMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL6312864 0.82 MAPT (0.53) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6314635 0.81 PKM (0.71) PKMKDM4ELMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL6313060 0.80 KDM4E (0.47) PKMKDM4ELMNAADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499317-A1 TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS WITH NHE-1 INHIBITORS Pfizer Products Inc. (US) 2005-01-26 EP claimed
WO-2003092694-A1 TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS WITH NHE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-13 WO claimed
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors PFIZER INC. 2003-11-13 US claimed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US claimed
CN-1370531-A Combined therapy PFIZER PRODUCT CO (US) 2002-09-25 CN claimed
EP-1226830-A2 Combination therapy involving a sodium-hydrogen exchanger type 1 or NHE-1 inhibitor for use in treatment of ischemia Pfizer Products Inc. (US) 2002-07-31 EP claimed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 US claimed
US-6423705-B1 FOR ISCHEMIA BY ADMINISTERING AN NHE-1 INHIBITOR AND A SECOND COMPOUND SELECTED FROM COMPLEMENT MODULATOR, METABOLIC MODULATOR, ANTIAPOPTOTIC AGENT, NITRIC OXIDE SYNTHASE-RELATED AGENT, AND AN ENZYME/PROTEIN MODULATOR PFIZER INC. 2002-07-23 US claimed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN claimed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP claimed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO claimed
WO-2015189236-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING CD95-MEDIATED CELL MOTILITY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-12-17 WO disclosed
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
WO-2005079803-A1 COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASES PFIZER PRODUCTS, INC. (US) 2005-09-01 WO disclosed
EP-1499317-A1 TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS WITH NHE-1 INHIBITORS Pfizer Products Inc. (US) 2005-01-26 EP disclosed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 US disclosed
US-6423705-B1 FOR ISCHEMIA BY ADMINISTERING AN NHE-1 INHIBITOR AND A SECOND COMPOUND SELECTED FROM COMPLEMENT MODULATOR, METABOLIC MODULATOR, ANTIAPOPTOTIC AGENT, NITRIC OXIDE SYNTHASE-RELATED AGENT, AND AN ENZYME/PROTEIN MODULATOR PFIZER INC. 2002-07-23 US disclosed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 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 (3 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-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 PKM 3143/4885KDM4E 4558/4885LMNA 4372/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 PKM 3050/4885KDM4E 3920/4885LMNA 1626/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 PKM 1086/4885KDM4E 4327/4885LMNA 973/4885

“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.