SCHEMBL4100005

SCHEMBL4100005

Nc1ccc(Cc2c[nH]nn2)cc1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
ADRB2 P07550 1/20 0.33
TBXA2R P21731 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL6944017 0.76 CYP3A4 (0.48) ALDH1A1GAAMAPTCYP3A4POLB
SCHEMBL1299504 0.75 GAA (0.54) ALDH1A1GAAKDM4EMAPTCYP3A4
SCHEMBL29272 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1POLB
SCHEMBL9508013 0.67 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMEN1POLB
SCHEMBL1602492 0.67 CALM1 (0.48) ALDH1A1GAAKDM4EMAPTCYP3A4
SCHEMBL3918469 0.67 LTA4H (0.48) ALDH1A1KDM4EMEN1POLBRAB9A
SCHEMBL30561856 0.66 ALDH1A1 (0.44) ALDH1A1GAAKDM4EMAPTCYP3A4
SCHEMBL13451834 0.66 SKP2 (0.50) ALDH1A1GAAKDM4EMAPTCYP3A4
SCHEMBL1818072 0.66
SCHEMBL8767382 0.66 HRH3 (0.45) KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062550-A1 Process for the Large Scale Production of Rizatriptan Benzoate MATRIX LABORATORIES LTD (IN) 2009-03-05 US disclosed
EP-1951713-A1 PROCESS FOR THE LARGE SCALE PRODUCTION OF RIZATRIPTAN BENZOATE Matrix Laboratories Ltd (IN) 2008-08-06 EP disclosed
US-7279581-B2 Process for preparing a pharmaceutically active compound INKE, S.A. (ES) 2007-10-09 US disclosed
WO-2007054979-A1 PROCESS FOR THE LARGE SCALE PRODUCTION OF RIZATRIPTAN BENZOATE MATRIX LABORATORIES LTD (IN) 2007-05-18 WO disclosed
EP-1527053-B1 PROCESS FOR PREPARING RIZATRIPTAN VITA CIENTIFICA S L (ES) 2005-12-07 EP disclosed
US-20050148778-A1 Process for preparing a rizatriptan INKE, S.A. (ES) 2005-07-07 US disclosed
CN-1157390-C Indole derivant 2004-07-14 CN disclosed
EP-0763032-B1 PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE MERCK & CO INC (US) 2003-10-15 EP disclosed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
CN-1077104-C Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine MERCK & CO INC (US) 2002-01-02 CN disclosed
CN-1322725-A Indole derivant MERCK & CO INC (US) 2001-11-21 CN disclosed
EP-0925302-A1 PALLADIUM CATALYZED INDOLIZATION Merck & Co., Inc. (US) 1999-06-30 EP disclosed
US-5811551-A Palladium catalyzed indolization MERCK & CO., INC. (US) 1998-09-22 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed
WO-1998006725-A1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO., INC. (US) 1998-02-19 WO disclosed
CN-1152920-A Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine MERCK & CO INC (US) 1997-06-25 CN disclosed
EP-0763032-A1 PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE MERCK & CO. INC. (US) 1997-03-19 EP disclosed
US-5567824-A CATALYZING THE CYCLIZATION IN PRESENCE OF A SOLVENT AND A PROTON ACCEPTOR MERCK & CO., INC. (US) 1996-10-22 US disclosed
WO-1995032197-A1 PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE MERCK & CO., INC. (US) 1995-11-30 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 (2 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-20090062550-A1 Process for the Large Scale Production of Rizatriptan Benzoate DPP4, HTR3A, SI ALDH1A1 719/4885GAA 673/4885KDM4E 1417/4885
US-20050148778-A1 Process for preparing a rizatriptan SI, TPSD1, DPP4 ALDH1A1 852/4885GAA 1003/4885KDM4E 1370/4885

“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.