SCHEMBL1964674

SCHEMBL1964674

COC(=O)c1cccc(Nc2ccc(OCCN(C)C)cc2OC)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
EGFR P00533 3/20 0.43
BTK Q06187 3/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CDK6 Q00534 1/20 0.43
GAK O14976 1/20 0.43
ERBB2 P04626 1/20 0.43
JAK1 P23458 1/20 0.43
TTK P33981 1/20 0.43
TXK P42681 1/20 0.43
BLK P51451 1/20 0.43
JAK3 P52333 1/20 0.43
ITK Q08881 1/20 0.43
ERBB4 Q15303 1/20 0.43
ALDH1A1 P00352 3/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL1961731 0.95 KDR (0.45) KDRALDH1A1THRATHRBKDM4E
SCHEMBL1963245 0.92 RXFP1 (0.41) KDRALDH1A1KDM4ETOP1PTK2
SCHEMBL1964172 0.90 BRPF1 (0.47) KDRCHRNB2CHRNA4EGFRBTK
SCHEMBL1962083 0.90 CACNA1B (0.46) CHRNB2CHRNA4ALDH1A1KDM4ELMNA
SCHEMBL1964675 0.86 CDC25B (0.46) KDREGFRBTKCDK4CCND1
SCHEMBL1963476 0.84 MAPT (0.54) ALDH1A1KDM4EAPAF1RECQLCASP6
SCHEMBL1964231 0.84 HRH3 (0.52) KDRCDK4CCND1ALDH1A1KDM4E
SCHEMBL1962514 0.82 KMT2A (0.53) KDRALDH1A1KDM4EDRD3SMN1; SMN2
SCHEMBL1961738 0.82 CDC25B (0.45) KDRALDH1A1THRATHRBKDM4E
SCHEMBL1961837 0.81 KMT2A (0.55) KDRALDH1A1KDM4EDRD3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 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 (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-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 KDR 4230/4885CHRNB2 3140/4885CHRNA4 3008/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 KDR 4230/4885CHRNB2 3140/4885CHRNA4 3008/4885

“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.