SCHEMBL2730804

SCHEMBL2730804

CCN(CC)CCNC(=O)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 4/20 0.51
PRKAA1 Q13131 2/20 0.44
KDR P35968 2/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKAA2 P54646 1/20 0.44
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL13915628 0.89 ALDH1A1 (0.43) ALDH1A1TSHRPRKAA1KDRPDGFRB
SCHEMBL15132782 0.85 ALDH1A1 (0.67) ALDH1A1TSHRPRKAA1KDRPDGFRB
SCHEMBL19442393 0.79 ALDH1A1 (0.55) ALDH1A1TSHRPRKAA1KDRPDGFRB
SCHEMBL22803232 0.79 ALDH1A1 (0.50) ALDH1A1TSHRPRKAA1KDRPDGFRB
SCHEMBL5921880 0.78 L3MBTL1 (0.57) ALDH1A1TSHRKDRPDGFRBFGFR1
SCHEMBL12118142 0.76 KDR (0.50) ALDH1A1TSHRPRKAA1KDRPDGFRB
SCHEMBL24336951 0.76 ALDH1A1 (0.52) ALDH1A1TSHRPRKAA1KDRPDGFRB
SCHEMBL3133167 0.75 IGF1R (0.43) ALDH1A1TSHRHPGDPOLB
SCHEMBL1044420 0.75 KDR (0.59) ALDH1A1PRKAA1KDRPDGFRBFGFR1
SCHEMBL28146850 0.74 NPSR1 (0.56) ALDH1A1RAB9ANPSR1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501962-B2 Process for the preparation of high purity sunitinib and its pharmaceutically acceptable salt NATCO PHARMA LIMITED (IN) 2013-08-06 US disclosed
US-8501962-B2 Process for the preparation of high purity sunitinib and its pharmaceutically acceptable salt NATCO PHARMA LIMITED (IN) 2013-08-06 US disclosed
WO-2012059941-A1 PROCESS FOR PREPARATION OF SUNITINIB MALATE AND SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2012-05-10 WO disclosed
US-20110092717-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY SUNITINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALT NATCO PHARMA LIMITED (IN) 2011-04-21 US disclosed
US-20110092717-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY SUNITINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALT NATCO PHARMA LIMITED (IN) 2011-04-21 US disclosed
EP-2264027-A1 Process for the preparation of N-[2-(Diethylamino)ethyl]-5-[(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene) methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Ratiopharm GmbH (DE) 2010-12-22 EP disclosed
EP-2264027-A1 Process for the preparation of N-[2-(Diethylamino)ethyl]-5-[(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene) methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Ratiopharm GmbH (DE) 2010-12-22 EP disclosed
WO-2010136458-A1 PROCESS FOR THE PREPARATION OF N-[2-DIETHYLAMINO)ETHYL]-5-[(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE RATIOPHARM GMBH (DE) 2010-12-02 WO disclosed
US-20090062368-A1 DEUTERIUM-ENRICHED SUNITINIB PROTIA, LLC (US) 2009-03-05 US disclosed
US-20060009510-A1 Method of synthesizing indolinone compounds PHARMACIA & UPJOHN COMPANY LLC 2006-01-12 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 (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-20090062368-A1 DEUTERIUM-ENRICHED SUNITINIB SRMS, KDR, ABL1 ALDH1A1 4139/4885TSHR 2364/4885PRKAA1 2655/4885
US-20060009510-A1 Method of synthesizing indolinone compounds HCCS, ALDH18A1, MKI67 ALDH1A1 319/4885TSHR 2968/4885PRKAA1 935/4885
US-20110092717-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY SUNITINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALT MET, RCC2, MDH2 ALDH1A1 783/4885TSHR 3898/4885PRKAA1 345/4885

“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.